N-[(4-bromophenyl)methyl]-2-chloro-N,4-dimethyl-1,3-thiazole-5-sulfonamide

C12H12BrClN2O2S2 — CID 60744536

IUPACN-[(4-bromophenyl)methyl]-2-chloro-N,4-dimethyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)N(C)Cc1ccc(Br)cc1
InChIInChI=1S/C12H12BrClN2O2S2/c1-8-11(19-12(14)15-8)20(17,18)16(2)7-9-3-5-10(13)6-4-9/h3-6H,7H2,1-2H3
InChIKeyDFFGURPNARDCRO-UHFFFAOYSA-N
MW395.73 g/mol
LogP3.69
Rot. Bonds4

About N-[(4-bromophenyl)methyl]-2-chloro-N,4-dimethyl-1,3-thiazole-5-sulfonamide

N-[(4-bromophenyl)methyl]-2-chloro-N,4-dimethyl-1,3-thiazole-5-sulfonamide (PubChem CID 60744536) has the molecular formula C12H12BrClN2O2S2 and a molecular weight of 395.73 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-2-chloro-N,4-dimethyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-2-chloro-N,4-dimethyl-1,3-thiazole-5-sulfonamide
PubChem CID60744536
Molecular FormulaC12H12BrClN2O2S2
Molecular Weight395.73 g/mol
Exact Mass393.92
IUPAC NameN-[(4-bromophenyl)methyl]-2-chloro-N,4-dimethyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)N(C)Cc1ccc(Br)cc1
InChIInChI=1S/C12H12BrClN2O2S2/c1-8-11(19-12(14)15-8)20(17,18)16(2)7-9-3-5-10(13)6-4-9/h3-6H,7H2,1-2H3
InChIKeyDFFGURPNARDCRO-UHFFFAOYSA-N
XLogP3.69
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.73
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-2-chloro-N,4-dimethyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-2-chloro-N,4-dimethyl-1,3-thiazole-5-sulfonamide (CID 60744536) is N-[(4-bromophenyl)methyl]-2-chloro-N,4-dimethyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-2-chloro-N,4-dimethyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-2-chloro-N,4-dimethyl-1,3-thiazole-5-sulfonamide is Cc1nc(Cl)sc1S(=O)(=O)N(C)Cc1ccc(Br)cc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-2-chloro-N,4-dimethyl-1,3-thiazole-5-sulfonamide?
The InChIKey is DFFGURPNARDCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrClN2O2S2/c1-8-11(19-12(14)15-8)20(17,18)16(2)7-9-3-5-10(13)6-4-9/h3-6H,7H2,1-2H3.
What are the key properties of N-[(4-bromophenyl)methyl]-2-chloro-N,4-dimethyl-1,3-thiazole-5-sulfonamide?
N-[(4-bromophenyl)methyl]-2-chloro-N,4-dimethyl-1,3-thiazole-5-sulfonamide has a molecular weight of 395.73 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-2-chloro-N,4-dimethyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 60744536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).