1-(cyclohexylmethyl)-2,5-dimethylpyrrole-3-sulfonamide

C13H22N2O2S — CID 123508986

IUPAC1-(cyclohexylmethyl)-2,5-dimethylpyrrole-3-sulfonamide
SMILESCc1cc(S(N)(=O)=O)c(C)n1CC1CCCCC1
InChIInChI=1S/C13H22N2O2S/c1-10-8-13(18(14,16)17)11(2)15(10)9-12-6-4-3-5-7-12/h8,12H,3-7,9H2,1-2H3,(H2,14,16,17)
InChIKeyZFBKPQCPXWHVOV-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.33
Rot. Bonds3

About 1-(cyclohexylmethyl)-2,5-dimethylpyrrole-3-sulfonamide

1-(cyclohexylmethyl)-2,5-dimethylpyrrole-3-sulfonamide (PubChem CID 123508986) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-2,5-dimethylpyrrole-3-sulfonamide.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-2,5-dimethylpyrrole-3-sulfonamide
PubChem CID123508986
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name1-(cyclohexylmethyl)-2,5-dimethylpyrrole-3-sulfonamide
SMILESCc1cc(S(N)(=O)=O)c(C)n1CC1CCCCC1
InChIInChI=1S/C13H22N2O2S/c1-10-8-13(18(14,16)17)11(2)15(10)9-12-6-4-3-5-7-12/h8,12H,3-7,9H2,1-2H3,(H2,14,16,17)
InChIKeyZFBKPQCPXWHVOV-UHFFFAOYSA-N
XLogP2.33
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-tert-butyl-5-[1-(cyclohexylmethyl)-5-methyl-4-sulfamoylpyrrol-2-yl]benzamide
CID 70913607
ethyl 1-(cyclohexylmethyl)-2,5-dimethylpyrrole-3-carboxylate
CID 90379201
5-[3-tert-butyl-4-(tert-butylsulfamoyl)phenyl]-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide
CID 66562837
5-(7-tert-butyl-3-methyl-2H-indazol-5-yl)-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide
CID 70913763
ethyl 4-chlorosulfonyl-1-(cyclohexylmethyl)-5-methylpyrrole-2-carboxylate
CID 90036565
N-tert-butyl-3-[1-(cyclohexylmethyl)-5-methyl-4-sulfamoylpyrrol-2-yl]-5-(trifluoromethyl)benzamide
CID 70913676
5-(3-tert-butyl-4-morpholin-4-ylsulfonylphenyl)-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide
CID 70914900
1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-ethylpyrrole-3-sulfonamide
CID 70913716
3-tert-butyl-5-[1-(cyclohexylmethyl)-5-methyl-4-sulfamoylpyrrol-2-yl]-N-methyl-N-(2-methylpropyl)benzamide
CID 70913675
5-(8-tert-butyl-4-methoxy-4-methyl-2,3-dihydrochromen-6-yl)-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide
CID 66562640
1-(cyclohexylmethyl)-5-[4-[(1-methoxy-2-methylpropan-2-yl)sulfamoyl]-3-(trifluoromethyl)phenyl]-2-methylpyrrole-3-sulfonamide
CID 70913773
5-[3-tert-butyl-5-(2-morpholin-4-ylethoxy)phenyl]-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide
CID 70913411

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-2,5-dimethylpyrrole-3-sulfonamide?
The IUPAC name of 1-(cyclohexylmethyl)-2,5-dimethylpyrrole-3-sulfonamide (CID 123508986) is 1-(cyclohexylmethyl)-2,5-dimethylpyrrole-3-sulfonamide.
What is the SMILES notation for 1-(cyclohexylmethyl)-2,5-dimethylpyrrole-3-sulfonamide?
The canonical SMILES for 1-(cyclohexylmethyl)-2,5-dimethylpyrrole-3-sulfonamide is Cc1cc(S(N)(=O)=O)c(C)n1CC1CCCCC1.
What is the InChIKey of 1-(cyclohexylmethyl)-2,5-dimethylpyrrole-3-sulfonamide?
The InChIKey is ZFBKPQCPXWHVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-10-8-13(18(14,16)17)11(2)15(10)9-12-6-4-3-5-7-12/h8,12H,3-7,9H2,1-2H3,(H2,14,16,17).
What are the key properties of 1-(cyclohexylmethyl)-2,5-dimethylpyrrole-3-sulfonamide?
1-(cyclohexylmethyl)-2,5-dimethylpyrrole-3-sulfonamide has a molecular weight of 270.40 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-2,5-dimethylpyrrole-3-sulfonamide is sourced from PubChem (CID 123508986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).