2-[(4-bromophenyl)sulfonylamino]-3-phenylmethoxybutanamide

C17H19BrN2O4S — CID 6735066

IUPAC2-[(4-bromophenyl)sulfonylamino]-3-phenylmethoxybutanamide
SMILESCC(OCc1ccccc1)C(NS(=O)(=O)c1ccc(Br)cc1)C(N)=O
InChIInChI=1S/C17H19BrN2O4S/c1-12(24-11-13-5-3-2-4-6-13)16(17(19)21)20-25(22,23)15-9-7-14(18)8-10-15/h2-10,12,16,20H,11H2,1H3,(H2,19,21)
InChIKeyRURRGKOAPFBXSN-UHFFFAOYSA-N
MW427.32 g/mol
LogP2.19
Rot. Bonds8

About 2-[(4-bromophenyl)sulfonylamino]-3-phenylmethoxybutanamide

2-[(4-bromophenyl)sulfonylamino]-3-phenylmethoxybutanamide (PubChem CID 6735066) has the molecular formula C17H19BrN2O4S and a molecular weight of 427.32 g/mol. Its IUPAC name is 2-[(4-bromophenyl)sulfonylamino]-3-phenylmethoxybutanamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)sulfonylamino]-3-phenylmethoxybutanamide
PubChem CID6735066
Molecular FormulaC17H19BrN2O4S
Molecular Weight427.32 g/mol
Exact Mass426.02
IUPAC Name2-[(4-bromophenyl)sulfonylamino]-3-phenylmethoxybutanamide
SMILESCC(OCc1ccccc1)C(NS(=O)(=O)c1ccc(Br)cc1)C(N)=O
InChIInChI=1S/C17H19BrN2O4S/c1-12(24-11-13-5-3-2-4-6-13)16(17(19)21)20-25(22,23)15-9-7-14(18)8-10-15/h2-10,12,16,20H,11H2,1H3,(H2,19,21)
InChIKeyRURRGKOAPFBXSN-UHFFFAOYSA-N
XLogP2.19
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.32
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3R)-2-[(4-bromophenyl)sulfonylamino]-3-methylpentanoic acid
CID 6362488
benzyl (2S)-3-hydroxy-2-[(4-methylphenyl)sulfonylamino]butanoate
CID 22215096
(4-bromophenyl)methyl (2R,3R)-2-[(4-chlorophenyl)sulfonylamino]-3-hydroxybutanoate
CID 2377156
methyl (2R)-2-[(4-bromophenyl)sulfonylamino]-2-(4-phenylmethoxyphenyl)acetate
CID 154634382
(4-methoxyphenyl)methyl (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methylbutanoate
CID 16578703
(3-fluorophenyl)methyl (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methylbutanoate
CID 16565660
tert-butyl N-[(2S,3S)-1-amino-1-oxo-3-phenylmethoxybutan-2-yl]carbamate
CID 7035922
(2R)-2-[(4-bromophenyl)sulfonylamino]-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-3-phenylpropanamide
CID 99945696
(2S)-2-[(4-bromophenyl)sulfonylamino]-3-methylbutanoate
CID 6933555
2-[(4-hydroxyphenyl)sulfonylamino]-3-methylbutanamide
CID 106346489
4-bromo-N-phenylmethoxybenzenesulfonamide
CID 45378388
2-[(4-bromophenyl)sulfonylamino]-3-naphthalen-1-ylbutanoic acid
CID 138520359

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)sulfonylamino]-3-phenylmethoxybutanamide?
The IUPAC name of 2-[(4-bromophenyl)sulfonylamino]-3-phenylmethoxybutanamide (CID 6735066) is 2-[(4-bromophenyl)sulfonylamino]-3-phenylmethoxybutanamide.
What is the SMILES notation for 2-[(4-bromophenyl)sulfonylamino]-3-phenylmethoxybutanamide?
The canonical SMILES for 2-[(4-bromophenyl)sulfonylamino]-3-phenylmethoxybutanamide is CC(OCc1ccccc1)C(NS(=O)(=O)c1ccc(Br)cc1)C(N)=O.
What is the InChIKey of 2-[(4-bromophenyl)sulfonylamino]-3-phenylmethoxybutanamide?
The InChIKey is RURRGKOAPFBXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O4S/c1-12(24-11-13-5-3-2-4-6-13)16(17(19)21)20-25(22,23)15-9-7-14(18)8-10-15/h2-10,12,16,20H,11H2,1H3,(H2,19,21).
What are the key properties of 2-[(4-bromophenyl)sulfonylamino]-3-phenylmethoxybutanamide?
2-[(4-bromophenyl)sulfonylamino]-3-phenylmethoxybutanamide has a molecular weight of 427.32 g/mol, XLogP of 2.19, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)sulfonylamino]-3-phenylmethoxybutanamide is sourced from PubChem (CID 6735066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).