N-[(E)-[1-(4-chlorophenyl)pyrrol-2-yl]methylideneamino]-4-methylbenzenesulfonamide

C18H16ClN3O2S — CID 6897829

IUPACN-[(E)-[1-(4-chlorophenyl)pyrrol-2-yl]methylideneamino]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/N=C/c2cccn2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H16ClN3O2S/c1-14-4-10-18(11-5-14)25(23,24)21-20-13-17-3-2-12-22(17)16-8-6-15(19)7-9-16/h2-13,21H,1H3/b20-13+
InChIKeyZBVFPIZLWPNZRY-DEDYPNTBSA-N
MW373.87 g/mol
LogP3.75
Rot. Bonds5

About N-[(E)-[1-(4-chlorophenyl)pyrrol-2-yl]methylideneamino]-4-methylbenzenesulfonamide

N-[(E)-[1-(4-chlorophenyl)pyrrol-2-yl]methylideneamino]-4-methylbenzenesulfonamide (PubChem CID 6897829) has the molecular formula C18H16ClN3O2S and a molecular weight of 373.87 g/mol. Its IUPAC name is N-[(E)-[1-(4-chlorophenyl)pyrrol-2-yl]methylideneamino]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-[1-(4-chlorophenyl)pyrrol-2-yl]methylideneamino]-4-methylbenzenesulfonamide
PubChem CID6897829
Molecular FormulaC18H16ClN3O2S
Molecular Weight373.87 g/mol
Exact Mass373.07
IUPAC NameN-[(E)-[1-(4-chlorophenyl)pyrrol-2-yl]methylideneamino]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/N=C/c2cccn2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H16ClN3O2S/c1-14-4-10-18(11-5-14)25(23,24)21-20-13-17-3-2-12-22(17)16-8-6-15(19)7-9-16/h2-13,21H,1H3/b20-13+
InChIKeyZBVFPIZLWPNZRY-DEDYPNTBSA-N
XLogP3.75
TPSA63.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.87
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_pyrrol(64)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-[1-(4-chlorophenyl)pyrrol-2-yl]methylideneamino]-4-methylbenzenesulfonamide 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

N1-{3-[2-(2-pyridyl)ethyl]phenyl}-4-chlorobenzene-1-sulfonamide
CID 2807131
1-(2-Chloro-benzenesulfonyl)-3-(1-methyl-1,2,3,6-tetrahydro-pyridin-4-yl)-1H-indole
CID 44389001
1-(3-Chloro-benzenesulfonyl)-3-(1-methyl-1,2,3,6-tetrahydro-pyridin-4-yl)-1H-indole
CID 44389015
4-chloro-N-[(Z)-1-pyridin-4-ylethylideneamino]benzenesulfonamide
CID 6157925
4-(5-Chloro-6''-methyl-[2,3'']bipyridinyl-3-yl)-benzenesulfonamide
CID 10269858
4-(2-(4-fluorophenyl)-1H-pyrrol-1-yl)benzenesulfonamide
CID 10471014
1-[1-(benzenesulfonyl)-5-(2-chloro-3-pyridinyl)pyrrol-3-yl]-N-methylmethanamine
CID 25007652
1-Benzenesulfonyl-5-chloro-3-((R)-1-methyl-pyrrolidin-2-ylmethyl)-1H-indole
CID 44388701
N-Methyl-1-{1-[(4-methylphenyl)sulfonyl]-5-phenyl-1H-pyrrol-3-yl}methanamine
CID 66561648
1-[1-(benzenesulfonyl)-2-chloro-5-phenylpyrrol-3-yl]-N-methylmethanamine
CID 66924857
[1-(4-Methylphenyl)sulfonyl-5-phenylpyrrol-3-yl]methanamine
CID 66925173
N,N-dimethyl-1-[5-phenyl-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrol-3-yl]methanamine
CID 66925262

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[1-(4-chlorophenyl)pyrrol-2-yl]methylideneamino]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(E)-[1-(4-chlorophenyl)pyrrol-2-yl]methylideneamino]-4-methylbenzenesulfonamide (CID 6897829) is N-[(E)-[1-(4-chlorophenyl)pyrrol-2-yl]methylideneamino]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(E)-[1-(4-chlorophenyl)pyrrol-2-yl]methylideneamino]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(E)-[1-(4-chlorophenyl)pyrrol-2-yl]methylideneamino]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N/N=C/c2cccn2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[(E)-[1-(4-chlorophenyl)pyrrol-2-yl]methylideneamino]-4-methylbenzenesulfonamide?
The InChIKey is ZBVFPIZLWPNZRY-DEDYPNTBSA-N. The full InChI is InChI=1S/C18H16ClN3O2S/c1-14-4-10-18(11-5-14)25(23,24)21-20-13-17-3-2-12-22(17)16-8-6-15(19)7-9-16/h2-13,21H,1H3/b20-13+.
What are the key properties of N-[(E)-[1-(4-chlorophenyl)pyrrol-2-yl]methylideneamino]-4-methylbenzenesulfonamide?
N-[(E)-[1-(4-chlorophenyl)pyrrol-2-yl]methylideneamino]-4-methylbenzenesulfonamide has a molecular weight of 373.87 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[1-(4-chlorophenyl)pyrrol-2-yl]methylideneamino]-4-methylbenzenesulfonamide is sourced from PubChem (CID 6897829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).