2-bromo-N-[3-chloro-4-(methanesulfonamido)phenyl]butanamide

C11H14BrClN2O3S — CID 62855661

IUPAC2-bromo-N-[3-chloro-4-(methanesulfonamido)phenyl]butanamide
SMILESCCC(Br)C(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1
InChIInChI=1S/C11H14BrClN2O3S/c1-3-8(12)11(16)14-7-4-5-10(9(13)6-7)15-19(2,17)18/h4-6,8,15H,3H2,1-2H3,(H,14,16)
InChIKeyUCPUSTOHZTYTFU-UHFFFAOYSA-N
MW369.67 g/mol
LogP2.82
Rot. Bonds5

About 2-bromo-N-[3-chloro-4-(methanesulfonamido)phenyl]butanamide

2-bromo-N-[3-chloro-4-(methanesulfonamido)phenyl]butanamide (PubChem CID 62855661) has the molecular formula C11H14BrClN2O3S and a molecular weight of 369.67 g/mol. Its IUPAC name is 2-bromo-N-[3-chloro-4-(methanesulfonamido)phenyl]butanamide.

Molecular Properties

Compound Name2-bromo-N-[3-chloro-4-(methanesulfonamido)phenyl]butanamide
PubChem CID62855661
Molecular FormulaC11H14BrClN2O3S
Molecular Weight369.67 g/mol
Exact Mass367.96
IUPAC Name2-bromo-N-[3-chloro-4-(methanesulfonamido)phenyl]butanamide
SMILESCCC(Br)C(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1
InChIInChI=1S/C11H14BrClN2O3S/c1-3-8(12)11(16)14-7-4-5-10(9(13)6-7)15-19(2,17)18/h4-6,8,15H,3H2,1-2H3,(H,14,16)
InChIKeyUCPUSTOHZTYTFU-UHFFFAOYSA-N
XLogP2.82
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.67
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]-3-methylpentanamide
CID 43711077
2-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]propanamide
CID 43711074
(2S)-2-bromo-N-(3-chloro-4-fluorophenyl)butanamide
CID 92864164
(2R)-2-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]-3,3-dimethylbutanamide
CID 103928886
N-[3-chloro-4-(methanesulfonamido)phenyl]-2-(2-methylpropoxy)propanamide
CID 47030973
3-(aminomethyl)-N-[3-chloro-4-(methanesulfonamido)phenyl]pentanamide
CID 81070770
N-[3-chloro-4-(methanesulfonamido)phenyl]methanesulfonamide
CID 5120140
2-bromo-N-(3-chloro-4-nitrophenyl)butanamide
CID 82864976
4-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]-3-methylbutanamide
CID 81076100
2-bromo-N-(3-chloro-4-propoxyphenyl)butanamide
CID 62854145
N-(3-acetamido-4-methylphenyl)-2-bromobutanamide
CID 55125591
2-[2-[3-chloro-4-(methanesulfonamido)anilino]-2-oxoethyl]sulfanylacetic acid
CID 104569450

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[3-chloro-4-(methanesulfonamido)phenyl]butanamide?
The IUPAC name of 2-bromo-N-[3-chloro-4-(methanesulfonamido)phenyl]butanamide (CID 62855661) is 2-bromo-N-[3-chloro-4-(methanesulfonamido)phenyl]butanamide.
What is the SMILES notation for 2-bromo-N-[3-chloro-4-(methanesulfonamido)phenyl]butanamide?
The canonical SMILES for 2-bromo-N-[3-chloro-4-(methanesulfonamido)phenyl]butanamide is CCC(Br)C(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1.
What is the InChIKey of 2-bromo-N-[3-chloro-4-(methanesulfonamido)phenyl]butanamide?
The InChIKey is UCPUSTOHZTYTFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClN2O3S/c1-3-8(12)11(16)14-7-4-5-10(9(13)6-7)15-19(2,17)18/h4-6,8,15H,3H2,1-2H3,(H,14,16).
What are the key properties of 2-bromo-N-[3-chloro-4-(methanesulfonamido)phenyl]butanamide?
2-bromo-N-[3-chloro-4-(methanesulfonamido)phenyl]butanamide has a molecular weight of 369.67 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[3-chloro-4-(methanesulfonamido)phenyl]butanamide is sourced from PubChem (CID 62855661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).