N-(4-chlorophenyl)-5-[(propan-2-ylamino)methyl]-1H-pyrrole-3-sulfonamide

C14H18ClN3O2S — CID 106060794

IUPACN-(4-chlorophenyl)-5-[(propan-2-ylamino)methyl]-1H-pyrrole-3-sulfonamide
SMILESCC(C)NCc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)c[nH]1
InChIInChI=1S/C14H18ClN3O2S/c1-10(2)16-8-13-7-14(9-17-13)21(19,20)18-12-5-3-11(15)4-6-12/h3-7,9-10,16-18H,8H2,1-2H3
InChIKeyVPBLJGGUGFZSAI-UHFFFAOYSA-N
MW327.84 g/mol
LogP2.97
Rot. Bonds6

About N-(4-chlorophenyl)-5-[(propan-2-ylamino)methyl]-1H-pyrrole-3-sulfonamide

N-(4-chlorophenyl)-5-[(propan-2-ylamino)methyl]-1H-pyrrole-3-sulfonamide (PubChem CID 106060794) has the molecular formula C14H18ClN3O2S and a molecular weight of 327.84 g/mol. Its IUPAC name is N-(4-chlorophenyl)-5-[(propan-2-ylamino)methyl]-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-5-[(propan-2-ylamino)methyl]-1H-pyrrole-3-sulfonamide
PubChem CID106060794
Molecular FormulaC14H18ClN3O2S
Molecular Weight327.84 g/mol
Exact Mass327.08
IUPAC NameN-(4-chlorophenyl)-5-[(propan-2-ylamino)methyl]-1H-pyrrole-3-sulfonamide
SMILESCC(C)NCc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)c[nH]1
InChIInChI=1S/C14H18ClN3O2S/c1-10(2)16-8-13-7-14(9-17-13)21(19,20)18-12-5-3-11(15)4-6-12/h3-7,9-10,16-18H,8H2,1-2H3
InChIKeyVPBLJGGUGFZSAI-UHFFFAOYSA-N
XLogP2.97
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.84
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-(4-chlorophenyl)-5-[(propan-2-ylamino)methyl]-1H-pyrrole-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,5-dichlorophenyl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106058909
N-(4-chloro-3-fluorophenyl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106004740
N-(3-fluoro-4-pyridinyl)-5-[(propan-2-ylamino)methyl]-1H-pyrrole-3-sulfonamide
CID 106090095
5-(ethylaminomethyl)-N-(4-fluorophenyl)-1H-pyrrole-3-sulfonamide
CID 106061783
N-(3,5-dichlorophenyl)-5-(ethylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106058974
5-(ethylaminomethyl)-N-(4-fluoro-3-methylphenyl)-1H-pyrrole-3-sulfonamide
CID 106056158
N-(1-methylsulfanylbutan-2-yl)-5-[(propan-2-ylamino)methyl]-1H-pyrrole-3-sulfonamide
CID 106083874
5-[(propan-2-ylamino)methyl]-N-(pyridin-3-ylmethyl)-1H-pyrrole-3-sulfonamide
CID 106030787
N-(4-chlorophenyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106060779
N-(4-tert-butylphenyl)-5-(hydroxymethyl)-1H-pyrrole-3-sulfonamide
CID 107265358
4-chloro-N-[4-(propan-2-ylamino)phenyl]benzenesulfonamide
CID 112979886
N-(5-chloro-2-methylphenyl)-5-(ethylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106031189

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-5-[(propan-2-ylamino)methyl]-1H-pyrrole-3-sulfonamide?
The IUPAC name of N-(4-chlorophenyl)-5-[(propan-2-ylamino)methyl]-1H-pyrrole-3-sulfonamide (CID 106060794) is N-(4-chlorophenyl)-5-[(propan-2-ylamino)methyl]-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for N-(4-chlorophenyl)-5-[(propan-2-ylamino)methyl]-1H-pyrrole-3-sulfonamide?
The canonical SMILES for N-(4-chlorophenyl)-5-[(propan-2-ylamino)methyl]-1H-pyrrole-3-sulfonamide is CC(C)NCc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)c[nH]1.
What is the InChIKey of N-(4-chlorophenyl)-5-[(propan-2-ylamino)methyl]-1H-pyrrole-3-sulfonamide?
The InChIKey is VPBLJGGUGFZSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2S/c1-10(2)16-8-13-7-14(9-17-13)21(19,20)18-12-5-3-11(15)4-6-12/h3-7,9-10,16-18H,8H2,1-2H3.
What are the key properties of N-(4-chlorophenyl)-5-[(propan-2-ylamino)methyl]-1H-pyrrole-3-sulfonamide?
N-(4-chlorophenyl)-5-[(propan-2-ylamino)methyl]-1H-pyrrole-3-sulfonamide has a molecular weight of 327.84 g/mol, XLogP of 2.97, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-5-[(propan-2-ylamino)methyl]-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 106060794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).