4-[(3-hydroxycyclohexyl)methylsulfamoyl]-1-methylpyrrole-2-carboxamide

C13H21N3O4S — CID 103835875

IUPAC4-[(3-hydroxycyclohexyl)methylsulfamoyl]-1-methylpyrrole-2-carboxamide
SMILESCn1cc(S(=O)(=O)NCC2CCCC(O)C2)cc1C(N)=O
InChIInChI=1S/C13H21N3O4S/c1-16-8-11(6-12(16)13(14)18)21(19,20)15-7-9-3-2-4-10(17)5-9/h6,8-10,15,17H,2-5,7H2,1H3,(H2,14,18)
InChIKeyAQQAPRWXZKHAJF-UHFFFAOYSA-N
MW315.39 g/mol
LogP-0.05
Rot. Bonds5

About 4-[(3-hydroxycyclohexyl)methylsulfamoyl]-1-methylpyrrole-2-carboxamide

4-[(3-hydroxycyclohexyl)methylsulfamoyl]-1-methylpyrrole-2-carboxamide (PubChem CID 103835875) has the molecular formula C13H21N3O4S and a molecular weight of 315.39 g/mol. Its IUPAC name is 4-[(3-hydroxycyclohexyl)methylsulfamoyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-[(3-hydroxycyclohexyl)methylsulfamoyl]-1-methylpyrrole-2-carboxamide
PubChem CID103835875
Molecular FormulaC13H21N3O4S
Molecular Weight315.39 g/mol
Exact Mass315.13
IUPAC Name4-[(3-hydroxycyclohexyl)methylsulfamoyl]-1-methylpyrrole-2-carboxamide
SMILESCn1cc(S(=O)(=O)NCC2CCCC(O)C2)cc1C(N)=O
InChIInChI=1S/C13H21N3O4S/c1-16-8-11(6-12(16)13(14)18)21(19,20)15-7-9-3-2-4-10(17)5-9/h6,8-10,15,17H,2-5,7H2,1H3,(H2,14,18)
InChIKeyAQQAPRWXZKHAJF-UHFFFAOYSA-N
XLogP-0.05
TPSA114.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-hydroxycyclohexyl)methylsulfamoyl]-1-methylpyrrole-2-carboxamide
CID 106126603
4-[(3-hydroxycyclobutyl)methylsulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 66004509
N-[(3-hydroxycyclohexyl)methyl]-3,5-dimethylbenzenesulfonamide
CID 106126424
3,5-dichloro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 103835805
4-[(2-amino-2-cyclopropylethyl)sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 115301253
4-[2-(cycloheptylamino)ethylsulfamoyl]-1-methylpyrrole-2-carboxamide;hydrochloride
CID 119987196
3-amino-5-fluoro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 106119347
5-(hydroxymethyl)-1-methyl-N-[(3-methylcyclohexyl)methyl]pyrrole-3-sulfonamide
CID 106001030
1-methyl-4-(morpholin-3-ylmethylsulfamoyl)pyrrole-2-carboxamide
CID 103549022
4-[[(2R)-2-hydroxypropyl]sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 83030008
4-(2-hydroxypropylsulfamoyl)-1-methylpyrrole-2-carboxamide
CID 43502336
4-[(2-amino-2-methylpropyl)sulfamoyl]-1-methylpyrrole-2-carboxamide;hydrochloride
CID 119988182

Frequently Asked Questions

What is the IUPAC name of 4-[(3-hydroxycyclohexyl)methylsulfamoyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-[(3-hydroxycyclohexyl)methylsulfamoyl]-1-methylpyrrole-2-carboxamide (CID 103835875) is 4-[(3-hydroxycyclohexyl)methylsulfamoyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-[(3-hydroxycyclohexyl)methylsulfamoyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-[(3-hydroxycyclohexyl)methylsulfamoyl]-1-methylpyrrole-2-carboxamide is Cn1cc(S(=O)(=O)NCC2CCCC(O)C2)cc1C(N)=O.
What is the InChIKey of 4-[(3-hydroxycyclohexyl)methylsulfamoyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is AQQAPRWXZKHAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4S/c1-16-8-11(6-12(16)13(14)18)21(19,20)15-7-9-3-2-4-10(17)5-9/h6,8-10,15,17H,2-5,7H2,1H3,(H2,14,18).
What are the key properties of 4-[(3-hydroxycyclohexyl)methylsulfamoyl]-1-methylpyrrole-2-carboxamide?
4-[(3-hydroxycyclohexyl)methylsulfamoyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 315.39 g/mol, XLogP of -0.05, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-hydroxycyclohexyl)methylsulfamoyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 103835875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).