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

C12H14ClN3O2S2 — CID 168579937

IUPAC4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(NCc2cnc(Cl)s2)cc1
InChIInChI=1S/C12H14ClN3O2S2/c1-16(2)20(17,18)11-5-3-9(4-6-11)14-7-10-8-15-12(13)19-10/h3-6,8,14H,7H2,1-2H3
InChIKeyNBTPLAGNBJEKQN-UHFFFAOYSA-N
MW331.85 g/mol
LogP2.66
Rot. Bonds5

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

4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N,N-dimethylbenzenesulfonamide (PubChem CID 168579937) has the molecular formula C12H14ClN3O2S2 and a molecular weight of 331.85 g/mol. Its IUPAC name is 4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N,N-dimethylbenzenesulfonamide
PubChem CID168579937
Molecular FormulaC12H14ClN3O2S2
Molecular Weight331.85 g/mol
Exact Mass331.02
IUPAC Name4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(NCc2cnc(Cl)s2)cc1
InChIInChI=1S/C12H14ClN3O2S2/c1-16(2)20(17,18)11-5-3-9(4-6-11)14-7-10-8-15-12(13)19-10/h3-6,8,14H,7H2,1-2H3
InChIKeyNBTPLAGNBJEKQN-UHFFFAOYSA-N
XLogP2.66
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.85
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methylsulfonylaniline
CID 168579595
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-propan-2-ylbenzenesulfonamide
CID 75434080
3-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N,N-dimethyl-4-(4-methylphenyl)sulfonylbenzenesulfonamide
CID 168581948
4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-pyrimidin-2-ylbenzenesulfonamide
CID 168579634
N-cyclopropyl-N-methyl-4-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzenesulfonamide
CID 71997918
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-(2,6-dimethylpiperidin-1-yl)sulfonylaniline
CID 168583916
1-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-N,4-N-diethylbenzene-1,4-diamine
CID 168581662
4-[(2-chloro-1,3-thiazol-5-yl)methylamino]benzonitrile
CID 168579564
4-[(5-chlorofuran-2-yl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 60780224
3-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-N,N-dimethylpropanamide
CID 168583840
N-(1-adamantyl)-4-[(2-chloro-1,3-thiazol-5-yl)methylamino]benzenesulfonamide
CID 168581558

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N,N-dimethylbenzenesulfonamide (CID 168579937) is 4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1ccc(NCc2cnc(Cl)s2)cc1.
What is the InChIKey of 4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N,N-dimethylbenzenesulfonamide?
The InChIKey is NBTPLAGNBJEKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2S2/c1-16(2)20(17,18)11-5-3-9(4-6-11)14-7-10-8-15-12(13)19-10/h3-6,8,14H,7H2,1-2H3.
What are the key properties of 4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N,N-dimethylbenzenesulfonamide?
4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N,N-dimethylbenzenesulfonamide has a molecular weight of 331.85 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 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,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 168579937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).