4-[2-(cycloheptylamino)ethylsulfamoyl]-1-methylpyrrole-2-carboxamide;hydrochloride

C15H27ClN4O3S — CID 119987196

IUPAC4-[2-(cycloheptylamino)ethylsulfamoyl]-1-methylpyrrole-2-carboxamide;hydrochloride
SMILESCl.Cn1cc(S(=O)(=O)NCCNC2CCCCCC2)cc1C(N)=O
InChIInChI=1S/C15H26N4O3S.ClH/c1-19-11-13(10-14(19)15(16)20)23(21,22)18-9-8-17-12-6-4-2-3-5-7-12;/h10-12,17-18H,2-9H2,1H3,(H2,16,20);1H
InChIKeyLSAXQJINHKJIBO-UHFFFAOYSA-N
MW378.93 g/mol
LogP1.14
Rot. Bonds7

About 4-[2-(cycloheptylamino)ethylsulfamoyl]-1-methylpyrrole-2-carboxamide;hydrochloride

4-[2-(cycloheptylamino)ethylsulfamoyl]-1-methylpyrrole-2-carboxamide;hydrochloride (PubChem CID 119987196) has the molecular formula C15H27ClN4O3S and a molecular weight of 378.93 g/mol. Its IUPAC name is 4-[2-(cycloheptylamino)ethylsulfamoyl]-1-methylpyrrole-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-[2-(cycloheptylamino)ethylsulfamoyl]-1-methylpyrrole-2-carboxamide;hydrochloride
PubChem CID119987196
Molecular FormulaC15H27ClN4O3S
Molecular Weight378.93 g/mol
Exact Mass378.15
IUPAC Name4-[2-(cycloheptylamino)ethylsulfamoyl]-1-methylpyrrole-2-carboxamide;hydrochloride
SMILESCl.Cn1cc(S(=O)(=O)NCCNC2CCCCCC2)cc1C(N)=O
InChIInChI=1S/C15H26N4O3S.ClH/c1-19-11-13(10-14(19)15(16)20)23(21,22)18-9-8-17-12-6-4-2-3-5-7-12;/h10-12,17-18H,2-9H2,1H3,(H2,16,20);1H
InChIKeyLSAXQJINHKJIBO-UHFFFAOYSA-N
XLogP1.14
TPSA106.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.93
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-methyl-4-[2-(methylamino)ethylsulfamoyl]pyrrole-2-carboxamide;hydrochloride
CID 119973057
4-[(2-amino-2-cyclopropylethyl)sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 115301253
2-N-[2-(cycloheptylamino)ethyl]-1-methylpyrrole-2,4-dicarboxamide;hydrochloride
CID 119621202
4-[(4-hydroxycyclohexyl)methylsulfamoyl]-1-methylpyrrole-2-carboxamide
CID 106126603
4-[(2-amino-2-methylpropyl)sulfamoyl]-1-methylpyrrole-2-carboxamide;hydrochloride
CID 119988182
4-[(3-hydroxycyclohexyl)methylsulfamoyl]-1-methylpyrrole-2-carboxamide
CID 103835875
N-[4-[2-(cycloheptylamino)ethylsulfamoyl]phenyl]acetamide;hydrochloride
CID 119987153
N-cyclopentyl-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide
CID 34366355
4-[[(2R)-2-hydroxypropyl]sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 83030008
4-(2-hydroxypropylsulfamoyl)-1-methylpyrrole-2-carboxamide
CID 43502336
methyl 4-(cyclooctylsulfamoyl)-1-methylpyrrole-2-carboxylate
CID 22515635
1-[[(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid
CID 115445410

Frequently Asked Questions

What is the IUPAC name of 4-[2-(cycloheptylamino)ethylsulfamoyl]-1-methylpyrrole-2-carboxamide;hydrochloride?
The IUPAC name of 4-[2-(cycloheptylamino)ethylsulfamoyl]-1-methylpyrrole-2-carboxamide;hydrochloride (CID 119987196) is 4-[2-(cycloheptylamino)ethylsulfamoyl]-1-methylpyrrole-2-carboxamide;hydrochloride.
What is the SMILES notation for 4-[2-(cycloheptylamino)ethylsulfamoyl]-1-methylpyrrole-2-carboxamide;hydrochloride?
The canonical SMILES for 4-[2-(cycloheptylamino)ethylsulfamoyl]-1-methylpyrrole-2-carboxamide;hydrochloride is Cl.Cn1cc(S(=O)(=O)NCCNC2CCCCCC2)cc1C(N)=O.
What is the InChIKey of 4-[2-(cycloheptylamino)ethylsulfamoyl]-1-methylpyrrole-2-carboxamide;hydrochloride?
The InChIKey is LSAXQJINHKJIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O3S.ClH/c1-19-11-13(10-14(19)15(16)20)23(21,22)18-9-8-17-12-6-4-2-3-5-7-12;/h10-12,17-18H,2-9H2,1H3,(H2,16,20);1H.
What are the key properties of 4-[2-(cycloheptylamino)ethylsulfamoyl]-1-methylpyrrole-2-carboxamide;hydrochloride?
4-[2-(cycloheptylamino)ethylsulfamoyl]-1-methylpyrrole-2-carboxamide;hydrochloride has a molecular weight of 378.93 g/mol, XLogP of 1.14, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cycloheptylamino)ethylsulfamoyl]-1-methylpyrrole-2-carboxamide;hydrochloride is sourced from PubChem (CID 119987196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).