4-[(3-chlorophenyl)methyl-ethylsulfamoyl]-N,1-dimethylpyrrole-2-carboxamide

C16H20ClN3O3S — CID 47065074

IUPAC4-[(3-chlorophenyl)methyl-ethylsulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
SMILESCCN(Cc1cccc(Cl)c1)S(=O)(=O)c1cc(C(=O)NC)n(C)c1
InChIInChI=1S/C16H20ClN3O3S/c1-4-20(10-12-6-5-7-13(17)8-12)24(22,23)14-9-15(16(21)18-2)19(3)11-14/h5-9,11H,4,10H2,1-3H3,(H,18,21)
InChIKeyYWYZBZMUJCPVLO-UHFFFAOYSA-N
MW369.87 g/mol
LogP2.25
Rot. Bonds6

About 4-[(3-chlorophenyl)methyl-ethylsulfamoyl]-N,1-dimethylpyrrole-2-carboxamide

4-[(3-chlorophenyl)methyl-ethylsulfamoyl]-N,1-dimethylpyrrole-2-carboxamide (PubChem CID 47065074) has the molecular formula C16H20ClN3O3S and a molecular weight of 369.87 g/mol. Its IUPAC name is 4-[(3-chlorophenyl)methyl-ethylsulfamoyl]-N,1-dimethylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-[(3-chlorophenyl)methyl-ethylsulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
PubChem CID47065074
Molecular FormulaC16H20ClN3O3S
Molecular Weight369.87 g/mol
Exact Mass369.09
IUPAC Name4-[(3-chlorophenyl)methyl-ethylsulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
SMILESCCN(Cc1cccc(Cl)c1)S(=O)(=O)c1cc(C(=O)NC)n(C)c1
InChIInChI=1S/C16H20ClN3O3S/c1-4-20(10-12-6-5-7-13(17)8-12)24(22,23)14-9-15(16(21)18-2)19(3)11-14/h5-9,11H,4,10H2,1-3H3,(H,18,21)
InChIKeyYWYZBZMUJCPVLO-UHFFFAOYSA-N
XLogP2.25
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.87
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-chlorophenyl)ethyl]-4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxamide
CID 16574039
4-[ethyl(2-hydroxyethyl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
CID 54878712
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxamide
CID 55481157
N-[(3-carbamoylphenyl)methyl]-4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxamide
CID 32637125
6-chloro-N-[(3-chlorophenyl)methyl]-N-ethylpyridine-3-sulfonamide
CID 61045031
N-[(3-chlorophenyl)methyl]-N-ethyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 19260167
methyl 4-[[4-(diethylsulfamoyl)-1-methylpyrrole-2-carbonyl]amino]benzoate
CID 17411877
3-(diethylsulfamoyl)-N-methylbenzamide
CID 47099917
4-(diethylsulfamoyl)-N-[2-(dimethylsulfamoyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 55984075
4-(diethylsulfamoyl)-1-methyl-N-(3-phenylsulfanylpropyl)pyrrole-2-carboxamide
CID 38570369
3-[[[2-[(3-chlorophenyl)methylsulfanyl]acetyl]amino]carbamoyl]-N,N-diethylbenzenesulfonamide
CID 26654520
N-[2-(diethylamino)propyl]-4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxamide
CID 46480322

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chlorophenyl)methyl-ethylsulfamoyl]-N,1-dimethylpyrrole-2-carboxamide?
The IUPAC name of 4-[(3-chlorophenyl)methyl-ethylsulfamoyl]-N,1-dimethylpyrrole-2-carboxamide (CID 47065074) is 4-[(3-chlorophenyl)methyl-ethylsulfamoyl]-N,1-dimethylpyrrole-2-carboxamide.
What is the SMILES notation for 4-[(3-chlorophenyl)methyl-ethylsulfamoyl]-N,1-dimethylpyrrole-2-carboxamide?
The canonical SMILES for 4-[(3-chlorophenyl)methyl-ethylsulfamoyl]-N,1-dimethylpyrrole-2-carboxamide is CCN(Cc1cccc(Cl)c1)S(=O)(=O)c1cc(C(=O)NC)n(C)c1.
What is the InChIKey of 4-[(3-chlorophenyl)methyl-ethylsulfamoyl]-N,1-dimethylpyrrole-2-carboxamide?
The InChIKey is YWYZBZMUJCPVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O3S/c1-4-20(10-12-6-5-7-13(17)8-12)24(22,23)14-9-15(16(21)18-2)19(3)11-14/h5-9,11H,4,10H2,1-3H3,(H,18,21).
What are the key properties of 4-[(3-chlorophenyl)methyl-ethylsulfamoyl]-N,1-dimethylpyrrole-2-carboxamide?
4-[(3-chlorophenyl)methyl-ethylsulfamoyl]-N,1-dimethylpyrrole-2-carboxamide has a molecular weight of 369.87 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chlorophenyl)methyl-ethylsulfamoyl]-N,1-dimethylpyrrole-2-carboxamide is sourced from PubChem (CID 47065074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).