Chemical ID: 5079178

CS(=O)(=O)Nc1ncccn1
Chemical ID:
5079178
Name [?]:
N-pyrimidin-2-ylmethanesulfonamide
SMILES [?]:
CS(=O)(=O)Nc1ncccn1
InChi [?]:
InChI=1/C5H7N3O2S/c1-11(9,10)8-5-6-3-2-4-7-5/h2-4H,1H3,(H,6,7,8)
InChi Info:
AuxInfo=1/1/N:1,9,8,10,6,7,11,5,3,4,2/E:(3,4)(6,7)(9,10)/CRV:11.6/rA:11nCSOONCNCCCN/rB:s1;d2;d2;s2;s5;s6;d7;s8;d9;d6s10;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C5H7N3O2S
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:4.62929
Area:308.303
Solvation:-3.07829
Coulombic:-19.7374
Bond Count [?]
All:11
Single:6
Double:5
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:173.194
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:-0.3
LogP (Chemaxon):-0.9

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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