4-[[4-amino-5-(naphthalene-2-carbonyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide

C20H16N4O3S2 — CID 66553068

IUPAC4-[[4-amino-5-(naphthalene-2-carbonyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
SMILESNc1nc(Nc2ccc(S(N)(=O)=O)cc2)sc1C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C20H16N4O3S2/c21-19-18(17(25)14-6-5-12-3-1-2-4-13(12)11-14)28-20(24-19)23-15-7-9-16(10-8-15)29(22,26)27/h1-11H,21H2,(H,23,24)(H2,22,26,27)
InChIKeySUFGPCLKXWRBHX-UHFFFAOYSA-N
MW424.51 g/mol
LogP3.50
Rot. Bonds5

About 4-[[4-amino-5-(naphthalene-2-carbonyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide

4-[[4-amino-5-(naphthalene-2-carbonyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide (PubChem CID 66553068) has the molecular formula C20H16N4O3S2 and a molecular weight of 424.51 g/mol. Its IUPAC name is 4-[[4-amino-5-(naphthalene-2-carbonyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[4-amino-5-(naphthalene-2-carbonyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
PubChem CID66553068
Molecular FormulaC20H16N4O3S2
Molecular Weight424.51 g/mol
Exact Mass424.07
IUPAC Name4-[[4-amino-5-(naphthalene-2-carbonyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
SMILESNc1nc(Nc2ccc(S(N)(=O)=O)cc2)sc1C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C20H16N4O3S2/c21-19-18(17(25)14-6-5-12-3-1-2-4-13(12)11-14)28-20(24-19)23-15-7-9-16(10-8-15)29(22,26)27/h1-11H,21H2,(H,23,24)(H2,22,26,27)
InChIKeySUFGPCLKXWRBHX-UHFFFAOYSA-N
XLogP3.50
TPSA128.17 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.51
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-[[4-amino-5-(naphthalene-2-carbonyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide 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

4-{[4-Amino-5-(4-Sulfamoylbenzoyl)-1,3-Thiazol-2-Yl]amino}benzenesulfonamide
CID 66553048
4-{[4-Amino-5-(3-Fluorobenzoyl)-1,3-Thiazol-2-Yl]amino}benzenesulfonamide
CID 66553051
4-{[4-Amino-5-(2-Nitrobenzoyl)-1,3-Thiazol-2-Yl]amino}benzenesulfonamide
CID 66553053
4-{[4-Amino-5-(3-Aminobenzoyl)-1,3-Thiazol-2-Yl]amino}benzenesulfonamide
CID 66553071
4-{[4-Amino-5-(3-Nitrobenzoyl)-1,3-Thiazol-2-Yl]amino}benzenesulfonamide
CID 73347325
4-[(4-Amino-5-Benzoyl-1,3-Thiazol-2-Yl)amino]benzenesulfonamide
CID 73354900
4-{[4-Amino-5-(2-Methylbenzoyl)-1,3-Thiazol-2-Yl]amino}benzenesulfonamide
CID 66553076
5-(2,4-dimethylbenzoyl)-N2-(4-fluorophenyl)-1,3-thiazole-2,4-diamine
CID 16024612
4-[[4-Amino-5-[3-(trifluoromethyl)benzoyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide
CID 71662565
3-[(4-Amino-5-Benzoyl-1,3-Thiazol-2-Yl)amino]benzenesulfonamide
CID 66553069
(4-(Methylsulfonyl)phenyl)(4-phenyl-2-(phenylamino)-thiazol-5-yl)methanone
CID 46229323
N-[4-[(4-phenyl-1,3-thiazol-2-yl)sulfamoyl]phenyl]naphthalene-2-carboxamide
CID 70789460

Frequently Asked Questions

What is the IUPAC name of 4-[[4-amino-5-(naphthalene-2-carbonyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide?
The IUPAC name of 4-[[4-amino-5-(naphthalene-2-carbonyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide (CID 66553068) is 4-[[4-amino-5-(naphthalene-2-carbonyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide.
What is the SMILES notation for 4-[[4-amino-5-(naphthalene-2-carbonyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide?
The canonical SMILES for 4-[[4-amino-5-(naphthalene-2-carbonyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide is Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)sc1C(=O)c1ccc2ccccc2c1.
What is the InChIKey of 4-[[4-amino-5-(naphthalene-2-carbonyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide?
The InChIKey is SUFGPCLKXWRBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O3S2/c21-19-18(17(25)14-6-5-12-3-1-2-4-13(12)11-14)28-20(24-19)23-15-7-9-16(10-8-15)29(22,26)27/h1-11H,21H2,(H,23,24)(H2,22,26,27).
What are the key properties of 4-[[4-amino-5-(naphthalene-2-carbonyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide?
4-[[4-amino-5-(naphthalene-2-carbonyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide has a molecular weight of 424.51 g/mol, XLogP of 3.50, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-amino-5-(naphthalene-2-carbonyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide is sourced from PubChem (CID 66553068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).