2,4-dichloro-N-(5-propan-2-yl-1,3-thiazol-2-yl)-5-sulfamoylbenzamide

C13H13Cl2N3O3S2 — CID 22170635

IUPAC2,4-dichloro-N-(5-propan-2-yl-1,3-thiazol-2-yl)-5-sulfamoylbenzamide
SMILESCC(C)c1cnc(NC(=O)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)s1
InChIInChI=1S/C13H13Cl2N3O3S2/c1-6(2)10-5-17-13(22-10)18-12(19)7-3-11(23(16,20)21)9(15)4-8(7)14/h3-6H,1-2H3,(H2,16,20,21)(H,17,18,19)
InChIKeyRATGRPZCYKRQLG-UHFFFAOYSA-N
MW394.31 g/mol
LogP3.47
Rot. Bonds4

About 2,4-dichloro-N-(5-propan-2-yl-1,3-thiazol-2-yl)-5-sulfamoylbenzamide

2,4-dichloro-N-(5-propan-2-yl-1,3-thiazol-2-yl)-5-sulfamoylbenzamide (PubChem CID 22170635) has the molecular formula C13H13Cl2N3O3S2 and a molecular weight of 394.31 g/mol. Its IUPAC name is 2,4-dichloro-N-(5-propan-2-yl-1,3-thiazol-2-yl)-5-sulfamoylbenzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(5-propan-2-yl-1,3-thiazol-2-yl)-5-sulfamoylbenzamide
PubChem CID22170635
Molecular FormulaC13H13Cl2N3O3S2
Molecular Weight394.31 g/mol
Exact Mass392.98
IUPAC Name2,4-dichloro-N-(5-propan-2-yl-1,3-thiazol-2-yl)-5-sulfamoylbenzamide
SMILESCC(C)c1cnc(NC(=O)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)s1
InChIInChI=1S/C13H13Cl2N3O3S2/c1-6(2)10-5-17-13(22-10)18-12(19)7-3-11(23(16,20)21)9(15)4-8(7)14/h3-6H,1-2H3,(H2,16,20,21)(H,17,18,19)
InChIKeyRATGRPZCYKRQLG-UHFFFAOYSA-N
XLogP3.47
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.31
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dichloro-N-(4-methyl-2-pyridinyl)-5-sulfamoylbenzamide
CID 19577340
N-tert-butyl-2,4-dichloro-5-sulfamoylbenzamide
CID 60699230
2-[(2,4-dichloro-5-sulfamoylbenzoyl)amino]-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 3581076
methyl 2-[(5-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]benzoate
CID 22170596
methyl 4-[(5-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]benzoate
CID 22170458
4-[(5-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]benzoic acid
CID 87952464
3,5-dimethoxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 22170540
2,4-dichloro-N-(2,2-difluoroethyl)-5-sulfamoylbenzamide
CID 79140385
2,4-dichloro-N-(1-methoxypropan-2-yl)-5-sulfamoylbenzamide
CID 60637644
1-(2-chlorophenyl)-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea
CID 22559542
3-chloro-4-(4-methylpiperazin-1-yl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 22170659
2,4-dichloro-N-hexan-3-yl-5-sulfamoylbenzamide
CID 63297293

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(5-propan-2-yl-1,3-thiazol-2-yl)-5-sulfamoylbenzamide?
The IUPAC name of 2,4-dichloro-N-(5-propan-2-yl-1,3-thiazol-2-yl)-5-sulfamoylbenzamide (CID 22170635) is 2,4-dichloro-N-(5-propan-2-yl-1,3-thiazol-2-yl)-5-sulfamoylbenzamide.
What is the SMILES notation for 2,4-dichloro-N-(5-propan-2-yl-1,3-thiazol-2-yl)-5-sulfamoylbenzamide?
The canonical SMILES for 2,4-dichloro-N-(5-propan-2-yl-1,3-thiazol-2-yl)-5-sulfamoylbenzamide is CC(C)c1cnc(NC(=O)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)s1.
What is the InChIKey of 2,4-dichloro-N-(5-propan-2-yl-1,3-thiazol-2-yl)-5-sulfamoylbenzamide?
The InChIKey is RATGRPZCYKRQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3O3S2/c1-6(2)10-5-17-13(22-10)18-12(19)7-3-11(23(16,20)21)9(15)4-8(7)14/h3-6H,1-2H3,(H2,16,20,21)(H,17,18,19).
What are the key properties of 2,4-dichloro-N-(5-propan-2-yl-1,3-thiazol-2-yl)-5-sulfamoylbenzamide?
2,4-dichloro-N-(5-propan-2-yl-1,3-thiazol-2-yl)-5-sulfamoylbenzamide has a molecular weight of 394.31 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(5-propan-2-yl-1,3-thiazol-2-yl)-5-sulfamoylbenzamide is sourced from PubChem (CID 22170635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).