5-chloro-N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-2-methoxybenzenesulfonamide

C13H16ClN3O3S2 — CID 108780350

IUPAC5-chloro-N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)Nc1nc(CN(C)C)cs1
InChIInChI=1S/C13H16ClN3O3S2/c1-17(2)7-10-8-21-13(15-10)16-22(18,19)12-6-9(14)4-5-11(12)20-3/h4-6,8H,7H2,1-3H3,(H,15,16)
InChIKeyAMNPJKHCUQKENT-UHFFFAOYSA-N
MW361.88 g/mol
LogP2.67
Rot. Bonds6

About 5-chloro-N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-2-methoxybenzenesulfonamide

5-chloro-N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-2-methoxybenzenesulfonamide (PubChem CID 108780350) has the molecular formula C13H16ClN3O3S2 and a molecular weight of 361.88 g/mol. Its IUPAC name is 5-chloro-N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-2-methoxybenzenesulfonamide
PubChem CID108780350
Molecular FormulaC13H16ClN3O3S2
Molecular Weight361.88 g/mol
Exact Mass361.03
IUPAC Name5-chloro-N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)Nc1nc(CN(C)C)cs1
InChIInChI=1S/C13H16ClN3O3S2/c1-17(2)7-10-8-21-13(15-10)16-22(18,19)12-6-9(14)4-5-11(12)20-3/h4-6,8H,7H2,1-3H3,(H,15,16)
InChIKeyAMNPJKHCUQKENT-UHFFFAOYSA-N
XLogP2.67
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.88
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 108780336
2-[2-[(2,5-dimethoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
CID 87546100
N-[[4-[2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]phenyl]methyl]acetamide
CID 108782675
2-[2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
CID 87545579
5-chloro-N-(5-chloro-2-methoxyphenyl)-2-methoxybenzenesulfonamide
CID 1326389
4-chloro-N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-3-nitrobenzenesulfonamide
CID 108780347
5-chloro-N-(5-chloro-2-pyridinyl)-2-methoxybenzenesulfonamide
CID 839351
CID 70601990
CID 70601990
5-chloro-N-(3,4-dimethoxyphenyl)-2-methoxybenzenesulfonamide
CID 3706982
5-chloro-2-methoxy-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 108782236
5-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methoxybenzenesulfonamide
CID 6736491
5-chloro-2-methoxy-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzenesulfonamide
CID 108780573

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-2-methoxybenzenesulfonamide?
The IUPAC name of 5-chloro-N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-2-methoxybenzenesulfonamide (CID 108780350) is 5-chloro-N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-chloro-N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-chloro-N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-2-methoxybenzenesulfonamide is COc1ccc(Cl)cc1S(=O)(=O)Nc1nc(CN(C)C)cs1.
What is the InChIKey of 5-chloro-N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-2-methoxybenzenesulfonamide?
The InChIKey is AMNPJKHCUQKENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O3S2/c1-17(2)7-10-8-21-13(15-10)16-22(18,19)12-6-9(14)4-5-11(12)20-3/h4-6,8H,7H2,1-3H3,(H,15,16).
What are the key properties of 5-chloro-N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-2-methoxybenzenesulfonamide?
5-chloro-N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-2-methoxybenzenesulfonamide has a molecular weight of 361.88 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 108780350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).