4-[[4-(cyanomethyl)phenyl]sulfamoyl]-1-methylpyrrole-2-carboxamide

C14H14N4O3S — CID 37263793

IUPAC4-[[4-(cyanomethyl)phenyl]sulfamoyl]-1-methylpyrrole-2-carboxamide
SMILESCn1cc(S(=O)(=O)Nc2ccc(CC#N)cc2)cc1C(N)=O
InChIInChI=1S/C14H14N4O3S/c1-18-9-12(8-13(18)14(16)19)22(20,21)17-11-4-2-10(3-5-11)6-7-15/h2-5,8-9,17H,6H2,1H3,(H2,16,19)
InChIKeyRBYZWDQMJWUHSC-UHFFFAOYSA-N
MW318.36 g/mol
LogP0.99
Rot. Bonds5

About 4-[[4-(cyanomethyl)phenyl]sulfamoyl]-1-methylpyrrole-2-carboxamide

4-[[4-(cyanomethyl)phenyl]sulfamoyl]-1-methylpyrrole-2-carboxamide (PubChem CID 37263793) has the molecular formula C14H14N4O3S and a molecular weight of 318.36 g/mol. Its IUPAC name is 4-[[4-(cyanomethyl)phenyl]sulfamoyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-[[4-(cyanomethyl)phenyl]sulfamoyl]-1-methylpyrrole-2-carboxamide
PubChem CID37263793
Molecular FormulaC14H14N4O3S
Molecular Weight318.36 g/mol
Exact Mass318.08
IUPAC Name4-[[4-(cyanomethyl)phenyl]sulfamoyl]-1-methylpyrrole-2-carboxamide
SMILESCn1cc(S(=O)(=O)Nc2ccc(CC#N)cc2)cc1C(N)=O
InChIInChI=1S/C14H14N4O3S/c1-18-9-12(8-13(18)14(16)19)22(20,21)17-11-4-2-10(3-5-11)6-7-15/h2-5,8-9,17H,6H2,1H3,(H2,16,19)
InChIKeyRBYZWDQMJWUHSC-UHFFFAOYSA-N
XLogP0.99
TPSA117.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[4-(methanesulfonamido)phenyl]sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 55573254
1-methyl-4-[[4-(trifluoromethoxy)phenyl]sulfamoyl]pyrrole-2-carboxamide
CID 35507297
5-(hydrazinecarbonyl)-1-methyl-N-(4-methylphenyl)pyrrole-3-sulfonamide
CID 16780127
4-amino-N-[4-(cyanomethyl)phenyl]benzenesulfonamide
CID 62057983
4-[[(2R)-2-hydroxypropyl]sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 83030008
4-(2-hydroxypropylsulfamoyl)-1-methylpyrrole-2-carboxamide
CID 43502336
3-amino-N-[4-(cyanomethyl)phenyl]-4-methylbenzenesulfonamide
CID 62058676
N,1-dimethyl-4-[(4-pentylphenyl)sulfamoyl]pyrrole-2-carboxamide
CID 38890446
4-tert-butyl-N-[4-(cyanomethyl)phenyl]benzenesulfonamide
CID 25036783
N-[4-(cyanomethyl)phenyl]-4-propylbenzenesulfonamide
CID 25042511
3-amino-4-bromo-N-[4-(cyanomethyl)phenyl]benzenesulfonamide
CID 115329223
3-[(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylamino]-2-methylpropanoic acid
CID 62674475

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(cyanomethyl)phenyl]sulfamoyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-[[4-(cyanomethyl)phenyl]sulfamoyl]-1-methylpyrrole-2-carboxamide (CID 37263793) is 4-[[4-(cyanomethyl)phenyl]sulfamoyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-[[4-(cyanomethyl)phenyl]sulfamoyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-[[4-(cyanomethyl)phenyl]sulfamoyl]-1-methylpyrrole-2-carboxamide is Cn1cc(S(=O)(=O)Nc2ccc(CC#N)cc2)cc1C(N)=O.
What is the InChIKey of 4-[[4-(cyanomethyl)phenyl]sulfamoyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is RBYZWDQMJWUHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3S/c1-18-9-12(8-13(18)14(16)19)22(20,21)17-11-4-2-10(3-5-11)6-7-15/h2-5,8-9,17H,6H2,1H3,(H2,16,19).
What are the key properties of 4-[[4-(cyanomethyl)phenyl]sulfamoyl]-1-methylpyrrole-2-carboxamide?
4-[[4-(cyanomethyl)phenyl]sulfamoyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 318.36 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(cyanomethyl)phenyl]sulfamoyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 37263793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).