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

C10H8BrClN2O2S2 — CID 61401742

IUPACN-[(3-bromophenyl)methyl]-2-chloro-1,3-thiazole-5-sulfonamide
SMILESO=S(=O)(NCc1cccc(Br)c1)c1cnc(Cl)s1
InChIInChI=1S/C10H8BrClN2O2S2/c11-8-3-1-2-7(4-8)5-14-18(15,16)9-6-13-10(12)17-9/h1-4,6,14H,5H2
InChIKeyGWWBTRFZGPTCRS-UHFFFAOYSA-N
MW367.68 g/mol
LogP3.04
Rot. Bonds4

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

N-[(3-bromophenyl)methyl]-2-chloro-1,3-thiazole-5-sulfonamide (PubChem CID 61401742) has the molecular formula C10H8BrClN2O2S2 and a molecular weight of 367.68 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-2-chloro-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-2-chloro-1,3-thiazole-5-sulfonamide
PubChem CID61401742
Molecular FormulaC10H8BrClN2O2S2
Molecular Weight367.68 g/mol
Exact Mass365.89
IUPAC NameN-[(3-bromophenyl)methyl]-2-chloro-1,3-thiazole-5-sulfonamide
SMILESO=S(=O)(NCc1cccc(Br)c1)c1cnc(Cl)s1
InChIInChI=1S/C10H8BrClN2O2S2/c11-8-3-1-2-7(4-8)5-14-18(15,16)9-6-13-10(12)17-9/h1-4,6,14H,5H2
InChIKeyGWWBTRFZGPTCRS-UHFFFAOYSA-N
XLogP3.04
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.68
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]-1,3-thiazole-5-sulfonamide
CID 107230342
2-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-sulfonamide
CID 43455863
2-chloro-N-[(4-ethylphenyl)methyl]-1,3-thiazole-5-sulfonamide
CID 106899619
2-chloro-N-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazole-5-sulfonamide
CID 61215673
2-chloro-N-[2-(3-fluorophenyl)ethyl]-1,3-thiazole-5-sulfonamide
CID 43566269
2-chloro-N-(1,2-oxazol-3-ylmethyl)-1,3-thiazole-5-sulfonamide
CID 81170323
2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazole-5-sulfonamide
CID 61249590
5-[(3-bromophenyl)methyl]-2-chloro-1,3-thiazole
CID 138571512
N-benzyl-2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]acetamide
CID 61053150
N-[(3-bromophenyl)methyl]-4-chloro-1-methylpyrazole-5-sulfonamide
CID 114150447
N-[(3-bromophenyl)methyl]-5-chloro-1,3-dimethylpyrazole-4-sulfonamide
CID 25038613
2-chloro-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-sulfonamide
CID 62880621

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-2-chloro-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-[(3-bromophenyl)methyl]-2-chloro-1,3-thiazole-5-sulfonamide (CID 61401742) is N-[(3-bromophenyl)methyl]-2-chloro-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-2-chloro-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-[(3-bromophenyl)methyl]-2-chloro-1,3-thiazole-5-sulfonamide is O=S(=O)(NCc1cccc(Br)c1)c1cnc(Cl)s1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-2-chloro-1,3-thiazole-5-sulfonamide?
The InChIKey is GWWBTRFZGPTCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClN2O2S2/c11-8-3-1-2-7(4-8)5-14-18(15,16)9-6-13-10(12)17-9/h1-4,6,14H,5H2.
What are the key properties of N-[(3-bromophenyl)methyl]-2-chloro-1,3-thiazole-5-sulfonamide?
N-[(3-bromophenyl)methyl]-2-chloro-1,3-thiazole-5-sulfonamide has a molecular weight of 367.68 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-2-chloro-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 61401742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).