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Chemical ID: 4263547
Chemical ID:
4263547
Name [?]:
2-nitro-N-propyl-benzenesulfonamide
SMILES [?]:
CCCNS(=O)(=O)c1ccccc1[N+](=O)[O-]
InChi [?]:
InChI=1/C9H12N2O4S/c1-2-7-10-16(14,15)9-6-4-3-5-8(9)11(12)13/h3-6,10H,2,7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,11,10,12,9,3,13,8,4,14,15,16,6,7,5/E:(12,13)(14,15)/CRV:11.5,16.6/rA:16nCCCNSOOCCCCCCN+OO-/rB:s1;s2;s3;s4;d5;d5;s5;s8;d9;s10;d11;d8s12;s13;d14;s14;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H12N2O4S |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 2.53106 |
Area: | 396.688 |
Solvation: | -7.38615 |
Coulombic: | -21.7702 |
Bond Count [?]
All: | 16 |
Single: | 10 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 244.269 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 1.42 |
LogP (Chemaxon): | 1.69 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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