5-(aminomethyl)-N-[(2-chlorophenyl)methyl]-1H-pyrrole-3-sulfonamide

C12H14ClN3O2S — CID 106058647

IUPAC5-(aminomethyl)-N-[(2-chlorophenyl)methyl]-1H-pyrrole-3-sulfonamide
SMILESNCc1cc(S(=O)(=O)NCc2ccccc2Cl)c[nH]1
InChIInChI=1S/C12H14ClN3O2S/c13-12-4-2-1-3-9(12)7-16-19(17,18)11-5-10(6-14)15-8-11/h1-5,8,15-16H,6-7,14H2
InChIKeyLWHLQOWAXYCNQS-UHFFFAOYSA-N
MW299.78 g/mol
LogP1.61
Rot. Bonds5

About 5-(aminomethyl)-N-[(2-chlorophenyl)methyl]-1H-pyrrole-3-sulfonamide

5-(aminomethyl)-N-[(2-chlorophenyl)methyl]-1H-pyrrole-3-sulfonamide (PubChem CID 106058647) has the molecular formula C12H14ClN3O2S and a molecular weight of 299.78 g/mol. Its IUPAC name is 5-(aminomethyl)-N-[(2-chlorophenyl)methyl]-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-[(2-chlorophenyl)methyl]-1H-pyrrole-3-sulfonamide
PubChem CID106058647
Molecular FormulaC12H14ClN3O2S
Molecular Weight299.78 g/mol
Exact Mass299.05
IUPAC Name5-(aminomethyl)-N-[(2-chlorophenyl)methyl]-1H-pyrrole-3-sulfonamide
SMILESNCc1cc(S(=O)(=O)NCc2ccccc2Cl)c[nH]1
InChIInChI=1S/C12H14ClN3O2S/c13-12-4-2-1-3-9(12)7-16-19(17,18)11-5-10(6-14)15-8-11/h1-5,8,15-16H,6-7,14H2
InChIKeyLWHLQOWAXYCNQS-UHFFFAOYSA-N
XLogP1.61
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.78
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chlorophenyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 43629113
3-(aminomethyl)-N-[(2-chlorophenyl)methyl]benzenesulfonamide
CID 106058641
5-(aminomethyl)-N-[(2,5-difluorophenyl)methyl]-1H-pyrrole-3-sulfonamide
CID 106065156
4-chloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide
CID 2492101
N-[(2-chlorophenyl)methyl]-1H-pyrazole-4-sulfonamide
CID 54934551
3-bromo-4-chloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide
CID 106610688
N-[(2-chlorophenyl)methyl]-3-fluorobenzenesulfonamide
CID 3851131
5-(aminomethyl)-N-(2-thiophen-2-ylethyl)-1H-pyrrole-3-sulfonamide
CID 114132189
4-N-[(2-chlorophenyl)methyl]-1-N-methylbenzene-1,4-disulfonamide
CID 58188904
3-chloro-N-[(2-chlorophenyl)methyl]-4-fluorobenzenesulfonamide
CID 3348028
3-amino-5-chloro-N-[(2-chlorophenyl)methyl]-4-methylbenzenesulfonamide
CID 29297863
5-(aminomethyl)-N-(1H-pyrazol-4-ylmethyl)-1H-pyrrole-3-sulfonamide
CID 114137503

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-[(2-chlorophenyl)methyl]-1H-pyrrole-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-[(2-chlorophenyl)methyl]-1H-pyrrole-3-sulfonamide (CID 106058647) is 5-(aminomethyl)-N-[(2-chlorophenyl)methyl]-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-[(2-chlorophenyl)methyl]-1H-pyrrole-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-[(2-chlorophenyl)methyl]-1H-pyrrole-3-sulfonamide is NCc1cc(S(=O)(=O)NCc2ccccc2Cl)c[nH]1.
What is the InChIKey of 5-(aminomethyl)-N-[(2-chlorophenyl)methyl]-1H-pyrrole-3-sulfonamide?
The InChIKey is LWHLQOWAXYCNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2S/c13-12-4-2-1-3-9(12)7-16-19(17,18)11-5-10(6-14)15-8-11/h1-5,8,15-16H,6-7,14H2.
What are the key properties of 5-(aminomethyl)-N-[(2-chlorophenyl)methyl]-1H-pyrrole-3-sulfonamide?
5-(aminomethyl)-N-[(2-chlorophenyl)methyl]-1H-pyrrole-3-sulfonamide has a molecular weight of 299.78 g/mol, XLogP of 1.61, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-[(2-chlorophenyl)methyl]-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 106058647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).