2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-(2-hydroxyethyl)-N-phenylbenzenesulfonamide

C18H18ClN3O3S2 — CID 168581767

IUPAC2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-(2-hydroxyethyl)-N-phenylbenzenesulfonamide
SMILESO=S(=O)(c1ccccc1NCc1cnc(Cl)s1)N(CCO)c1ccccc1
InChIInChI=1S/C18H18ClN3O3S2/c19-18-21-13-15(26-18)12-20-16-8-4-5-9-17(16)27(24,25)22(10-11-23)14-6-2-1-3-7-14/h1-9,13,20,23H,10-12H2
InChIKeyGIWWQFGNTXVOQC-UHFFFAOYSA-N
MW423.95 g/mol
LogP3.60
Rot. Bonds8

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

2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-(2-hydroxyethyl)-N-phenylbenzenesulfonamide (PubChem CID 168581767) has the molecular formula C18H18ClN3O3S2 and a molecular weight of 423.95 g/mol. Its IUPAC name is 2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-(2-hydroxyethyl)-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-(2-hydroxyethyl)-N-phenylbenzenesulfonamide
PubChem CID168581767
Molecular FormulaC18H18ClN3O3S2
Molecular Weight423.95 g/mol
Exact Mass423.05
IUPAC Name2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-(2-hydroxyethyl)-N-phenylbenzenesulfonamide
SMILESO=S(=O)(c1ccccc1NCc1cnc(Cl)s1)N(CCO)c1ccccc1
InChIInChI=1S/C18H18ClN3O3S2/c19-18-21-13-15(26-18)12-20-16-8-4-5-9-17(16)27(24,25)22(10-11-23)14-6-2-1-3-7-14/h1-9,13,20,23H,10-12H2
InChIKeyGIWWQFGNTXVOQC-UHFFFAOYSA-N
XLogP3.60
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.95
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-bromo-3-[(2-chloro-1,3-thiazol-5-yl)methylamino]benzoic acid
CID 168579944
1-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-2,2,2-trifluoroethanone
CID 168580944
N-[(2-chloro-1,3-thiazol-5-yl)methyl]acridin-4-amine
CID 168580256
2-chloro-N-(2-cyanoethyl)-N-phenyl-1,3-thiazole-5-sulfonamide
CID 43455903
2-[(2-chloro-1,3-thiazol-5-yl)methylamino]benzene-1,4-diol
CID 168582764
methyl 3-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-phenylbenzoate
CID 168581543
N-benzyl-4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-methylbenzenesulfonamide
CID 168582182
2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-propylbenzamide
CID 168579862
4-(benzylamino)-3-[(2-chloro-1,3-thiazol-5-yl)methylamino]benzoic acid
CID 168579723
2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-cyclopropylbenzamide
CID 168579845
[5-chloro-2-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-phenylmethanone
CID 168580354
1-[3-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-hydroxyphenyl]ethanone
CID 168580226

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-(2-hydroxyethyl)-N-phenylbenzenesulfonamide?
The IUPAC name of 2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-(2-hydroxyethyl)-N-phenylbenzenesulfonamide (CID 168581767) is 2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-(2-hydroxyethyl)-N-phenylbenzenesulfonamide.
What is the SMILES notation for 2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-(2-hydroxyethyl)-N-phenylbenzenesulfonamide?
The canonical SMILES for 2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-(2-hydroxyethyl)-N-phenylbenzenesulfonamide is O=S(=O)(c1ccccc1NCc1cnc(Cl)s1)N(CCO)c1ccccc1.
What is the InChIKey of 2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-(2-hydroxyethyl)-N-phenylbenzenesulfonamide?
The InChIKey is GIWWQFGNTXVOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O3S2/c19-18-21-13-15(26-18)12-20-16-8-4-5-9-17(16)27(24,25)22(10-11-23)14-6-2-1-3-7-14/h1-9,13,20,23H,10-12H2.
What are the key properties of 2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-(2-hydroxyethyl)-N-phenylbenzenesulfonamide?
2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-(2-hydroxyethyl)-N-phenylbenzenesulfonamide has a molecular weight of 423.95 g/mol, XLogP of 3.60, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-(2-hydroxyethyl)-N-phenylbenzenesulfonamide is sourced from PubChem (CID 168581767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).