3-(5-bromothiophen-2-yl)sulfonyl-N-(3-chloro-2-methylphenyl)propanamide

C14H13BrClNO3S2 — CID 15988714

IUPAC3-(5-bromothiophen-2-yl)sulfonyl-N-(3-chloro-2-methylphenyl)propanamide
SMILESCc1c(Cl)cccc1NC(=O)CCS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C14H13BrClNO3S2/c1-9-10(16)3-2-4-11(9)17-13(18)7-8-22(19,20)14-6-5-12(15)21-14/h2-6H,7-8H2,1H3,(H,17,18)
InChIKeyWABGZMQQXMILDT-UHFFFAOYSA-N
MW422.75 g/mol
LogP4.27
Rot. Bonds5

About 3-(5-bromothiophen-2-yl)sulfonyl-N-(3-chloro-2-methylphenyl)propanamide

3-(5-bromothiophen-2-yl)sulfonyl-N-(3-chloro-2-methylphenyl)propanamide (PubChem CID 15988714) has the molecular formula C14H13BrClNO3S2 and a molecular weight of 422.75 g/mol. Its IUPAC name is 3-(5-bromothiophen-2-yl)sulfonyl-N-(3-chloro-2-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(5-bromothiophen-2-yl)sulfonyl-N-(3-chloro-2-methylphenyl)propanamide
PubChem CID15988714
Molecular FormulaC14H13BrClNO3S2
Molecular Weight422.75 g/mol
Exact Mass420.92
IUPAC Name3-(5-bromothiophen-2-yl)sulfonyl-N-(3-chloro-2-methylphenyl)propanamide
SMILESCc1c(Cl)cccc1NC(=O)CCS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C14H13BrClNO3S2/c1-9-10(16)3-2-4-11(9)17-13(18)7-8-22(19,20)14-6-5-12(15)21-14/h2-6H,7-8H2,1H3,(H,17,18)
InChIKeyWABGZMQQXMILDT-UHFFFAOYSA-N
XLogP4.27
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.75
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 892315
CID 892315
CID 15992306
CID 15992306
CID 16031687
CID 16031687
CID 15988711
CID 15988711
CID 836206
CID 836206
CID 15988720
CID 15988720
CID 22427349
CID 22427349
CID 42100194
CID 42100194
CID 4104416
CID 4104416
CID 16000852
CID 16000852
CID 6621277
CID 6621277
CID 16003866
CID 16003866

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromothiophen-2-yl)sulfonyl-N-(3-chloro-2-methylphenyl)propanamide?
The IUPAC name of 3-(5-bromothiophen-2-yl)sulfonyl-N-(3-chloro-2-methylphenyl)propanamide (CID 15988714) is 3-(5-bromothiophen-2-yl)sulfonyl-N-(3-chloro-2-methylphenyl)propanamide.
What is the SMILES notation for 3-(5-bromothiophen-2-yl)sulfonyl-N-(3-chloro-2-methylphenyl)propanamide?
The canonical SMILES for 3-(5-bromothiophen-2-yl)sulfonyl-N-(3-chloro-2-methylphenyl)propanamide is Cc1c(Cl)cccc1NC(=O)CCS(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of 3-(5-bromothiophen-2-yl)sulfonyl-N-(3-chloro-2-methylphenyl)propanamide?
The InChIKey is WABGZMQQXMILDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClNO3S2/c1-9-10(16)3-2-4-11(9)17-13(18)7-8-22(19,20)14-6-5-12(15)21-14/h2-6H,7-8H2,1H3,(H,17,18).
What are the key properties of 3-(5-bromothiophen-2-yl)sulfonyl-N-(3-chloro-2-methylphenyl)propanamide?
3-(5-bromothiophen-2-yl)sulfonyl-N-(3-chloro-2-methylphenyl)propanamide has a molecular weight of 422.75 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromothiophen-2-yl)sulfonyl-N-(3-chloro-2-methylphenyl)propanamide is sourced from PubChem (CID 15988714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).