5-(aminomethyl)-N-(4-chlorophenyl)-1-cyclopropylpyrrole-3-sulfonamide

C14H16ClN3O2S — CID 106060831

IUPAC5-(aminomethyl)-N-(4-chlorophenyl)-1-cyclopropylpyrrole-3-sulfonamide
SMILESNCc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)cn1C1CC1
InChIInChI=1S/C14H16ClN3O2S/c15-10-1-3-11(4-2-10)17-21(19,20)14-7-13(8-16)18(9-14)12-5-6-12/h1-4,7,9,12,17H,5-6,8,16H2
InChIKeyKEMCNVXIFFDMGK-UHFFFAOYSA-N
MW325.82 g/mol
LogP2.74
Rot. Bonds5

About 5-(aminomethyl)-N-(4-chlorophenyl)-1-cyclopropylpyrrole-3-sulfonamide

5-(aminomethyl)-N-(4-chlorophenyl)-1-cyclopropylpyrrole-3-sulfonamide (PubChem CID 106060831) has the molecular formula C14H16ClN3O2S and a molecular weight of 325.82 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(4-chlorophenyl)-1-cyclopropylpyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(4-chlorophenyl)-1-cyclopropylpyrrole-3-sulfonamide
PubChem CID106060831
Molecular FormulaC14H16ClN3O2S
Molecular Weight325.82 g/mol
Exact Mass325.07
IUPAC Name5-(aminomethyl)-N-(4-chlorophenyl)-1-cyclopropylpyrrole-3-sulfonamide
SMILESNCc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)cn1C1CC1
InChIInChI=1S/C14H16ClN3O2S/c15-10-1-3-11(4-2-10)17-21(19,20)14-7-13(8-16)18(9-14)12-5-6-12/h1-4,7,9,12,17H,5-6,8,16H2
InChIKeyKEMCNVXIFFDMGK-UHFFFAOYSA-N
XLogP2.74
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.82
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-N-(cyclobutylmethyl)-1-cyclopropylpyrrole-3-sulfonamide
CID 106024800
5-(aminomethyl)-1-cyclopropyl-N-[4-(dimethylamino)butan-2-yl]pyrrole-3-sulfonamide
CID 106054923
N-(4-chlorophenyl)-5-(ethylaminomethyl)-1-methylpyrrole-3-sulfonamide
CID 106060823
5-(aminomethyl)-1-cyclopropyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrrole-3-sulfonamide
CID 106051402
3-chloro-N-(4-chlorophenyl)benzenesulfonamide
CID 889559
5-(aminomethyl)-1-ethyl-N-(4-fluoro-3-methylphenyl)pyrrole-3-sulfonamide
CID 106056111
N-(4-chlorophenyl)-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide
CID 53179626
4-[2-(aminomethyl)pyrrolidine-1-carbonyl]-N-(4-chlorophenyl)benzenesulfonamide;hydrochloride
CID 119631367
4-[(4-chlorophenyl)sulfonylamino]-N-ethylbenzenesulfonamide
CID 22203365
5-(chloromethyl)-1-cyclopropyl-N-(2-methoxypropyl)pyrrole-3-sulfonamide
CID 102701378
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-chlorobenzenesulfonamide
CID 19684562
4-(3-aminopropyl)-N-(4-chlorophenyl)benzenesulfonamide
CID 106060775

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(4-chlorophenyl)-1-cyclopropylpyrrole-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(4-chlorophenyl)-1-cyclopropylpyrrole-3-sulfonamide (CID 106060831) is 5-(aminomethyl)-N-(4-chlorophenyl)-1-cyclopropylpyrrole-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(4-chlorophenyl)-1-cyclopropylpyrrole-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(4-chlorophenyl)-1-cyclopropylpyrrole-3-sulfonamide is NCc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)cn1C1CC1.
What is the InChIKey of 5-(aminomethyl)-N-(4-chlorophenyl)-1-cyclopropylpyrrole-3-sulfonamide?
The InChIKey is KEMCNVXIFFDMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2S/c15-10-1-3-11(4-2-10)17-21(19,20)14-7-13(8-16)18(9-14)12-5-6-12/h1-4,7,9,12,17H,5-6,8,16H2.
What are the key properties of 5-(aminomethyl)-N-(4-chlorophenyl)-1-cyclopropylpyrrole-3-sulfonamide?
5-(aminomethyl)-N-(4-chlorophenyl)-1-cyclopropylpyrrole-3-sulfonamide has a molecular weight of 325.82 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(4-chlorophenyl)-1-cyclopropylpyrrole-3-sulfonamide is sourced from PubChem (CID 106060831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).