4-[(3,3-difluorocyclohexyl)methyl]-N-methyl-3-(2H-tetrazol-5-yl)benzenesulfonamide

C15H19F2N5O2S — CID 159929577

IUPAC4-[(3,3-difluorocyclohexyl)methyl]-N-methyl-3-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(CC2CCCC(F)(F)C2)c(-c2nn[nH]n2)c1
InChIInChI=1S/C15H19F2N5O2S/c1-18-25(23,24)12-5-4-11(13(8-12)14-19-21-22-20-14)7-10-3-2-6-15(16,17)9-10/h4-5,8,10,18H,2-3,6-7,9H2,1H3,(H,19,20,21,22)
InChIKeyIBCOKFRKECKDGW-UHFFFAOYSA-N
MW371.41 g/mol
LogP2.14
Rot. Bonds5

About 4-[(3,3-difluorocyclohexyl)methyl]-N-methyl-3-(2H-tetrazol-5-yl)benzenesulfonamide

4-[(3,3-difluorocyclohexyl)methyl]-N-methyl-3-(2H-tetrazol-5-yl)benzenesulfonamide (PubChem CID 159929577) has the molecular formula C15H19F2N5O2S and a molecular weight of 371.41 g/mol. Its IUPAC name is 4-[(3,3-difluorocyclohexyl)methyl]-N-methyl-3-(2H-tetrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-[(3,3-difluorocyclohexyl)methyl]-N-methyl-3-(2H-tetrazol-5-yl)benzenesulfonamide
PubChem CID159929577
Molecular FormulaC15H19F2N5O2S
Molecular Weight371.41 g/mol
Exact Mass371.12
IUPAC Name4-[(3,3-difluorocyclohexyl)methyl]-N-methyl-3-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(CC2CCCC(F)(F)C2)c(-c2nn[nH]n2)c1
InChIInChI=1S/C15H19F2N5O2S/c1-18-25(23,24)12-5-4-11(13(8-12)14-19-21-22-20-14)7-10-3-2-6-15(16,17)9-10/h4-5,8,10,18H,2-3,6-7,9H2,1H3,(H,19,20,21,22)
InChIKeyIBCOKFRKECKDGW-UHFFFAOYSA-N
XLogP2.14
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[(3,3-difluorocyclohexyl)methyl]-N-methyl-3-(2H-tetrazol-5-yl)benzenesulfonamide with MolForge

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Related Compounds

bromoethane;4-(cyclohexylamino)-N-methyl-3-(2H-tetrazol-5-yl)benzenesulfonamide;4-(cyclohexylmethyl)-3-(2-ethyltetrazol-5-yl)-N-methylbenzenesulfonamide;methane
CID 157072938
4-(cyclohexylmethyl)-N-methyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)benzenesulfonamide
CID 160818531
4-(cyclohexylmethyl)-3-[2-(2-fluoroethyl)tetrazol-5-yl]-N-methylbenzenesulfonamide
CID 159428193
4-(cyclohexylmethyl)-3-[2-(4-fluorophenyl)tetrazol-5-yl]-N-methylbenzenesulfonamide
CID 159889034
4-(cyclohexylmethyl)-N-methyl-3-pyridin-4-ylbenzenesulfonamide
CID 157246135
4-(cyclohexylmethyl)-N-methyl-3-pyridin-3-ylbenzenesulfonamide
CID 159194940
2-[[(1S)-3,3-difluorocyclopentyl]methylamino]-N-methyl-5-(methylsulfamoyl)benzamide
CID 177315591
4-fluoro-N-[5-methyl-2-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
CID 44576535
4-[2-(3,3-difluorocyclohexyl)-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl]-N,3-dimethylbenzenesulfonamide
CID 154407367
N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-4-fluoro-3-(2H-tetrazol-5-yl)benzenesulfonamide
CID 122319830
4-[(2,5-difluorophenyl)methyl]-N-methyl-3-(2-methyltetrazol-5-yl)benzenesulfonamide
CID 158433776
N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-4-(methylsulfamoyl)benzamide
CID 47060223

Frequently Asked Questions

What is the IUPAC name of 4-[(3,3-difluorocyclohexyl)methyl]-N-methyl-3-(2H-tetrazol-5-yl)benzenesulfonamide?
The IUPAC name of 4-[(3,3-difluorocyclohexyl)methyl]-N-methyl-3-(2H-tetrazol-5-yl)benzenesulfonamide (CID 159929577) is 4-[(3,3-difluorocyclohexyl)methyl]-N-methyl-3-(2H-tetrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-[(3,3-difluorocyclohexyl)methyl]-N-methyl-3-(2H-tetrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 4-[(3,3-difluorocyclohexyl)methyl]-N-methyl-3-(2H-tetrazol-5-yl)benzenesulfonamide is CNS(=O)(=O)c1ccc(CC2CCCC(F)(F)C2)c(-c2nn[nH]n2)c1.
What is the InChIKey of 4-[(3,3-difluorocyclohexyl)methyl]-N-methyl-3-(2H-tetrazol-5-yl)benzenesulfonamide?
The InChIKey is IBCOKFRKECKDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N5O2S/c1-18-25(23,24)12-5-4-11(13(8-12)14-19-21-22-20-14)7-10-3-2-6-15(16,17)9-10/h4-5,8,10,18H,2-3,6-7,9H2,1H3,(H,19,20,21,22).
What are the key properties of 4-[(3,3-difluorocyclohexyl)methyl]-N-methyl-3-(2H-tetrazol-5-yl)benzenesulfonamide?
4-[(3,3-difluorocyclohexyl)methyl]-N-methyl-3-(2H-tetrazol-5-yl)benzenesulfonamide has a molecular weight of 371.41 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,3-difluorocyclohexyl)methyl]-N-methyl-3-(2H-tetrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 159929577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).