N-(4-bromo-2-chlorophenyl)-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide

C14H10BrClN2O2S3 — CID 2795741

IUPACN-(4-bromo-2-chlorophenyl)-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide
SMILESCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(Br)cc3Cl)s2)cs1
InChIInChI=1S/C14H10BrClN2O2S3/c1-8-17-12(7-21-8)13-4-5-14(22-13)23(19,20)18-11-3-2-9(15)6-10(11)16/h2-7,18H,1H3
InChIKeyAMNKYHFERGWVCB-UHFFFAOYSA-N
MW449.80 g/mol
LogP5.40
Rot. Bonds4

About N-(4-bromo-2-chlorophenyl)-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide

N-(4-bromo-2-chlorophenyl)-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide (PubChem CID 2795741) has the molecular formula C14H10BrClN2O2S3 and a molecular weight of 449.80 g/mol. Its IUPAC name is N-(4-bromo-2-chlorophenyl)-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(4-bromo-2-chlorophenyl)-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide
PubChem CID2795741
Molecular FormulaC14H10BrClN2O2S3
Molecular Weight449.80 g/mol
Exact Mass447.88
IUPAC NameN-(4-bromo-2-chlorophenyl)-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide
SMILESCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(Br)cc3Cl)s2)cs1
InChIInChI=1S/C14H10BrClN2O2S3/c1-8-17-12(7-21-8)13-4-5-14(22-13)23(19,20)18-11-3-2-9(15)6-10(11)16/h2-7,18H,1H3
InChIKeyAMNKYHFERGWVCB-UHFFFAOYSA-N
XLogP5.40
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.80
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-bromo-2-chlorophenyl)-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-chlorophenyl)-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(4-bromo-2-chlorophenyl)-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide (CID 2795741) is N-(4-bromo-2-chlorophenyl)-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(4-bromo-2-chlorophenyl)-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(4-bromo-2-chlorophenyl)-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide is Cc1nc(-c2ccc(S(=O)(=O)Nc3ccc(Br)cc3Cl)s2)cs1.
What is the InChIKey of N-(4-bromo-2-chlorophenyl)-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide?
The InChIKey is AMNKYHFERGWVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClN2O2S3/c1-8-17-12(7-21-8)13-4-5-14(22-13)23(19,20)18-11-3-2-9(15)6-10(11)16/h2-7,18H,1H3.
What are the key properties of N-(4-bromo-2-chlorophenyl)-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide?
N-(4-bromo-2-chlorophenyl)-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide has a molecular weight of 449.80 g/mol, XLogP of 5.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-chlorophenyl)-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 2795741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).