4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-propan-2-ylbenzenesulfonamide

C13H16ClN3O2S2 — CID 75434080

IUPAC4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(NCc2cnc(Cl)s2)cc1
InChIInChI=1S/C13H16ClN3O2S2/c1-9(2)17-21(18,19)12-5-3-10(4-6-12)15-7-11-8-16-13(14)20-11/h3-6,8-9,15,17H,7H2,1-2H3
InChIKeyIHZUGKBWCOVLBT-UHFFFAOYSA-N
MW345.88 g/mol
LogP3.10
Rot. Bonds6

About 4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-propan-2-ylbenzenesulfonamide

4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-propan-2-ylbenzenesulfonamide (PubChem CID 75434080) has the molecular formula C13H16ClN3O2S2 and a molecular weight of 345.88 g/mol. Its IUPAC name is 4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-propan-2-ylbenzenesulfonamide
PubChem CID75434080
Molecular FormulaC13H16ClN3O2S2
Molecular Weight345.88 g/mol
Exact Mass345.04
IUPAC Name4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(NCc2cnc(Cl)s2)cc1
InChIInChI=1S/C13H16ClN3O2S2/c1-9(2)17-21(18,19)12-5-3-10(4-6-12)15-7-11-8-16-13(14)20-11/h3-6,8-9,15,17H,7H2,1-2H3
InChIKeyIHZUGKBWCOVLBT-UHFFFAOYSA-N
XLogP3.10
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.88
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methylsulfonylaniline
CID 168579595
4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-pyrimidin-2-ylbenzenesulfonamide
CID 168579634
4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 168579937
N-(1-adamantyl)-4-[(2-chloro-1,3-thiazol-5-yl)methylamino]benzenesulfonamide
CID 168581558
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-(2,6-dimethylpiperidin-1-yl)sulfonylaniline
CID 168583916
N-benzyl-4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-methylbenzenesulfonamide
CID 168582182
4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide
CID 168583262
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-(difluoromethyl)aniline
CID 168580395
4-(2-aminopropylamino)-N-propan-2-ylbenzenesulfonamide
CID 63731923
N-propan-2-yl-4-(pyridin-3-ylmethylamino)benzenesulfonamide
CID 43454156
1-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-N,4-N-diethylbenzene-1,4-diamine
CID 168581662
2-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-N-methylacetamide
CID 168583841

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-propan-2-ylbenzenesulfonamide (CID 75434080) is 4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-propan-2-ylbenzenesulfonamide is CC(C)NS(=O)(=O)c1ccc(NCc2cnc(Cl)s2)cc1.
What is the InChIKey of 4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-propan-2-ylbenzenesulfonamide?
The InChIKey is IHZUGKBWCOVLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2S2/c1-9(2)17-21(18,19)12-5-3-10(4-6-12)15-7-11-8-16-13(14)20-11/h3-6,8-9,15,17H,7H2,1-2H3.
What are the key properties of 4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-propan-2-ylbenzenesulfonamide?
4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-propan-2-ylbenzenesulfonamide has a molecular weight of 345.88 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 75434080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).