methyl N-[3-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]phenyl]carbamate

C11H10ClN3O4S2 — CID 61042286

IUPACmethyl N-[3-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]phenyl]carbamate
SMILESCOC(=O)Nc1cccc(NS(=O)(=O)c2cnc(Cl)s2)c1
InChIInChI=1S/C11H10ClN3O4S2/c1-19-11(16)14-7-3-2-4-8(5-7)15-21(17,18)9-6-13-10(12)20-9/h2-6,15H,1H3,(H,14,16)
InChIKeyRUGOMVUBOQRBQA-UHFFFAOYSA-N
MW347.81 g/mol
LogP2.78
Rot. Bonds4

About methyl N-[3-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]phenyl]carbamate

methyl N-[3-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]phenyl]carbamate (PubChem CID 61042286) has the molecular formula C11H10ClN3O4S2 and a molecular weight of 347.81 g/mol. Its IUPAC name is methyl N-[3-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]phenyl]carbamate
PubChem CID61042286
Molecular FormulaC11H10ClN3O4S2
Molecular Weight347.81 g/mol
Exact Mass346.98
IUPAC Namemethyl N-[3-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]phenyl]carbamate
SMILESCOC(=O)Nc1cccc(NS(=O)(=O)c2cnc(Cl)s2)c1
InChIInChI=1S/C11H10ClN3O4S2/c1-19-11(16)14-7-3-2-4-8(5-7)15-21(17,18)9-6-13-10(12)20-9/h2-6,15H,1H3,(H,14,16)
InChIKeyRUGOMVUBOQRBQA-UHFFFAOYSA-N
XLogP2.78
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.81
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-(3-sulfamoylphenyl)-1,3-thiazole-5-sulfonamide
CID 43427451
methyl 4-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]benzoate
CID 60749436
methyl N-[3-[(4-aminothiophen-2-yl)sulfonylamino]phenyl]carbamate
CID 61299815
methyl N-(3-chlorophenyl)carbamate
CID 16529
4-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N,N-dimethylbenzamide
CID 60749460
2-[4-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]phenyl]-N-methylacetamide
CID 61051625
N-(4-bromophenyl)-2-chloro-1,3-thiazole-5-sulfonamide
CID 43427435
2-chloro-N-(3,5-dichloro-4-fluorophenyl)-1,3-thiazole-5-sulfonamide
CID 107573403
3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid
CID 103798260
methyl N-[3-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]carbamate
CID 71890321
2-chloro-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-sulfonamide
CID 61229017
2-chloro-N-(2-chlorophenyl)-1,3-thiazole-5-sulfonamide
CID 43427443

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]phenyl]carbamate?
The IUPAC name of methyl N-[3-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]phenyl]carbamate (CID 61042286) is methyl N-[3-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]phenyl]carbamate.
What is the SMILES notation for methyl N-[3-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]phenyl]carbamate?
The canonical SMILES for methyl N-[3-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]phenyl]carbamate is COC(=O)Nc1cccc(NS(=O)(=O)c2cnc(Cl)s2)c1.
What is the InChIKey of methyl N-[3-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]phenyl]carbamate?
The InChIKey is RUGOMVUBOQRBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O4S2/c1-19-11(16)14-7-3-2-4-8(5-7)15-21(17,18)9-6-13-10(12)20-9/h2-6,15H,1H3,(H,14,16).
What are the key properties of methyl N-[3-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]phenyl]carbamate?
methyl N-[3-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]phenyl]carbamate has a molecular weight of 347.81 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]phenyl]carbamate is sourced from PubChem (CID 61042286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).