2-cyano-3-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]benzenesulfonamide

C16H18N4O3S — CID 128975417

IUPAC2-cyano-3-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)N[C@H]2CCO[C@@H]2c2nccn2C)c1C#N
InChIInChI=1S/C16H18N4O3S/c1-11-4-3-5-14(12(11)10-17)24(21,22)19-13-6-9-23-15(13)16-18-7-8-20(16)2/h3-5,7-8,13,15,19H,6,9H2,1-2H3/t13-,15-/m0/s1
InChIKeyGEZQGEXMSCGZMS-ZFWWWQNUSA-N
MW346.41 g/mol
LogP1.41
Rot. Bonds4

About 2-cyano-3-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]benzenesulfonamide

2-cyano-3-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]benzenesulfonamide (PubChem CID 128975417) has the molecular formula C16H18N4O3S and a molecular weight of 346.41 g/mol. Its IUPAC name is 2-cyano-3-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-cyano-3-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]benzenesulfonamide
PubChem CID128975417
Molecular FormulaC16H18N4O3S
Molecular Weight346.41 g/mol
Exact Mass346.11
IUPAC Name2-cyano-3-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)N[C@H]2CCO[C@@H]2c2nccn2C)c1C#N
InChIInChI=1S/C16H18N4O3S/c1-11-4-3-5-14(12(11)10-17)24(21,22)19-13-6-9-23-15(13)16-18-7-8-20(16)2/h3-5,7-8,13,15,19H,6,9H2,1-2H3/t13-,15-/m0/s1
InChIKeyGEZQGEXMSCGZMS-ZFWWWQNUSA-N
XLogP1.41
TPSA97.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrazole-3-sulfonamide
CID 154738122
1-cyclopentyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methanesulfonamide
CID 127958223
4-cyano-2-methyl-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]benzenesulfonamide
CID 128975404
2-cyano-3-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)benzenesulfonamide
CID 129005301
3-[(2-cyano-3-methylphenyl)sulfonylamino]cyclobutane-1-carboxylic acid
CID 138045412
4-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrimidine-2-carboxamide
CID 154738095
2-cyano-N-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-methylbenzenesulfonamide
CID 86797056
6-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrimidin-4-amine
CID 128977675
1-cyclopropyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrrole-2-carboxamide
CID 128968417
N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-1-methylpyrazole-4-sulfonamide
CID 128975406
2,6-dimethyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrimidine-4-carboxamide
CID 128986079
N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]oxane-2-carboxamide
CID 128970459

Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]benzenesulfonamide?
The IUPAC name of 2-cyano-3-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]benzenesulfonamide (CID 128975417) is 2-cyano-3-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]benzenesulfonamide.
What is the SMILES notation for 2-cyano-3-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]benzenesulfonamide?
The canonical SMILES for 2-cyano-3-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]benzenesulfonamide is Cc1cccc(S(=O)(=O)N[C@H]2CCO[C@@H]2c2nccn2C)c1C#N.
What is the InChIKey of 2-cyano-3-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]benzenesulfonamide?
The InChIKey is GEZQGEXMSCGZMS-ZFWWWQNUSA-N. The full InChI is InChI=1S/C16H18N4O3S/c1-11-4-3-5-14(12(11)10-17)24(21,22)19-13-6-9-23-15(13)16-18-7-8-20(16)2/h3-5,7-8,13,15,19H,6,9H2,1-2H3/t13-,15-/m0/s1.
What are the key properties of 2-cyano-3-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]benzenesulfonamide?
2-cyano-3-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]benzenesulfonamide has a molecular weight of 346.41 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]benzenesulfonamide is sourced from PubChem (CID 128975417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).