5-bromo-4-methyl-N-[1-(1,3-thiazol-2-yl)propyl]thiophene-2-sulfonamide

C11H13BrN2O2S3 — CID 79941148

IUPAC5-bromo-4-methyl-N-[1-(1,3-thiazol-2-yl)propyl]thiophene-2-sulfonamide
SMILESCCC(NS(=O)(=O)c1cc(C)c(Br)s1)c1nccs1
InChIInChI=1S/C11H13BrN2O2S3/c1-3-8(11-13-4-5-17-11)14-19(15,16)9-6-7(2)10(12)18-9/h4-6,8,14H,3H2,1-2H3
InChIKeyJUGZIVCMQGXSJW-UHFFFAOYSA-N
MW381.34 g/mol
LogP3.71
Rot. Bonds5

About 5-bromo-4-methyl-N-[1-(1,3-thiazol-2-yl)propyl]thiophene-2-sulfonamide

5-bromo-4-methyl-N-[1-(1,3-thiazol-2-yl)propyl]thiophene-2-sulfonamide (PubChem CID 79941148) has the molecular formula C11H13BrN2O2S3 and a molecular weight of 381.34 g/mol. Its IUPAC name is 5-bromo-4-methyl-N-[1-(1,3-thiazol-2-yl)propyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-4-methyl-N-[1-(1,3-thiazol-2-yl)propyl]thiophene-2-sulfonamide
PubChem CID79941148
Molecular FormulaC11H13BrN2O2S3
Molecular Weight381.34 g/mol
Exact Mass379.93
IUPAC Name5-bromo-4-methyl-N-[1-(1,3-thiazol-2-yl)propyl]thiophene-2-sulfonamide
SMILESCCC(NS(=O)(=O)c1cc(C)c(Br)s1)c1nccs1
InChIInChI=1S/C11H13BrN2O2S3/c1-3-8(11-13-4-5-17-11)14-19(15,16)9-6-7(2)10(12)18-9/h4-6,8,14H,3H2,1-2H3
InChIKeyJUGZIVCMQGXSJW-UHFFFAOYSA-N
XLogP3.71
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.34
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dibromo-4-methyl-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide
CID 81435158
5-ethyl-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]thiophene-2-sulfonamide
CID 124595092
N-[(1R)-1-(1,3-thiazol-2-yl)propyl]ethanesulfonamide
CID 124506403
3-amino-2,5-dimethyl-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide
CID 79884780
5-bromo-N-(2-bromo-1-phenylethyl)-4-methylthiophene-2-sulfonamide
CID 114296879
N-[1-(1,3-thiazol-2-yl)propyl]butane-1-sulfonamide
CID 122564380
2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]butanethioamide
CID 79988717
4-fluoro-3-methoxy-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide
CID 102562347
4-amino-3-fluoro-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide
CID 82843811
5-bromo-N-(dicyclopropylmethyl)-4-methylthiophene-2-sulfonamide
CID 79934766
5-bromo-N-(1-hydroxypropan-2-yl)-4-methylthiophene-2-sulfonamide
CID 79988466
5-bromo-N-(4-bromobutan-2-yl)-4-methylthiophene-2-sulfonamide
CID 83180558

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-N-[1-(1,3-thiazol-2-yl)propyl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-4-methyl-N-[1-(1,3-thiazol-2-yl)propyl]thiophene-2-sulfonamide (CID 79941148) is 5-bromo-4-methyl-N-[1-(1,3-thiazol-2-yl)propyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-4-methyl-N-[1-(1,3-thiazol-2-yl)propyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-4-methyl-N-[1-(1,3-thiazol-2-yl)propyl]thiophene-2-sulfonamide is CCC(NS(=O)(=O)c1cc(C)c(Br)s1)c1nccs1.
What is the InChIKey of 5-bromo-4-methyl-N-[1-(1,3-thiazol-2-yl)propyl]thiophene-2-sulfonamide?
The InChIKey is JUGZIVCMQGXSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O2S3/c1-3-8(11-13-4-5-17-11)14-19(15,16)9-6-7(2)10(12)18-9/h4-6,8,14H,3H2,1-2H3.
What are the key properties of 5-bromo-4-methyl-N-[1-(1,3-thiazol-2-yl)propyl]thiophene-2-sulfonamide?
5-bromo-4-methyl-N-[1-(1,3-thiazol-2-yl)propyl]thiophene-2-sulfonamide has a molecular weight of 381.34 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-N-[1-(1,3-thiazol-2-yl)propyl]thiophene-2-sulfonamide is sourced from PubChem (CID 79941148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).