2-(4-amino-2-bromophenyl)sulfonyl-N-pentan-3-ylpropanamide

C14H21BrN2O3S — CID 82839375

IUPAC2-(4-amino-2-bromophenyl)sulfonyl-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)S(=O)(=O)c1ccc(N)cc1Br
InChIInChI=1S/C14H21BrN2O3S/c1-4-11(5-2)17-14(18)9(3)21(19,20)13-7-6-10(16)8-12(13)15/h6-9,11H,4-5,16H2,1-3H3,(H,17,18)
InChIKeyGCIZWPGFKUDMHE-UHFFFAOYSA-N
MW377.30 g/mol
LogP2.50
Rot. Bonds6

About 2-(4-amino-2-bromophenyl)sulfonyl-N-pentan-3-ylpropanamide

2-(4-amino-2-bromophenyl)sulfonyl-N-pentan-3-ylpropanamide (PubChem CID 82839375) has the molecular formula C14H21BrN2O3S and a molecular weight of 377.30 g/mol. Its IUPAC name is 2-(4-amino-2-bromophenyl)sulfonyl-N-pentan-3-ylpropanamide.

Molecular Properties

Compound Name2-(4-amino-2-bromophenyl)sulfonyl-N-pentan-3-ylpropanamide
PubChem CID82839375
Molecular FormulaC14H21BrN2O3S
Molecular Weight377.30 g/mol
Exact Mass376.05
IUPAC Name2-(4-amino-2-bromophenyl)sulfonyl-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)S(=O)(=O)c1ccc(N)cc1Br
InChIInChI=1S/C14H21BrN2O3S/c1-4-11(5-2)17-14(18)9(3)21(19,20)13-7-6-10(16)8-12(13)15/h6-9,11H,4-5,16H2,1-3H3,(H,17,18)
InChIKeyGCIZWPGFKUDMHE-UHFFFAOYSA-N
XLogP2.50
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.30
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-amino-2-bromophenyl)sulfonyl-N-cyclopropylpropanamide
CID 82834759
2-(4-amino-2-methoxyphenyl)sulfonyl-N-butan-2-ylpropanamide
CID 81200717
2-(4-amino-2-methylphenyl)sulfonyl-N-pentylpropanamide
CID 81184621
2-(5-amino-2-chlorophenyl)sulfonyl-N-propan-2-ylpropanamide
CID 81201760
2-(2-amino-4-bromophenyl)sulfonyl-N-propan-2-ylpropanamide
CID 81184759
2-chloro-5-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]sulfonylbenzoic acid
CID 75466679
N-(4-amino-2-bromophenyl)-2-methylbutanamide
CID 43549561
2-(5-amino-2-chlorophenyl)sulfonyl-N-(2-methylbutan-2-yl)propanamide
CID 81201862
2-(2-amino-4-methylphenyl)sulfonyl-N-(2-methylbutan-2-yl)propanamide
CID 81184144
2-(4-amino-2-methoxyphenyl)sulfonyl-N-methylpropanamide
CID 81206553
2-(4-amino-2-chlorophenyl)sulfonyl-N-tert-butylpropanamide
CID 81181976
4-amino-2-bromo-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide
CID 79248195

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-bromophenyl)sulfonyl-N-pentan-3-ylpropanamide?
The IUPAC name of 2-(4-amino-2-bromophenyl)sulfonyl-N-pentan-3-ylpropanamide (CID 82839375) is 2-(4-amino-2-bromophenyl)sulfonyl-N-pentan-3-ylpropanamide.
What is the SMILES notation for 2-(4-amino-2-bromophenyl)sulfonyl-N-pentan-3-ylpropanamide?
The canonical SMILES for 2-(4-amino-2-bromophenyl)sulfonyl-N-pentan-3-ylpropanamide is CCC(CC)NC(=O)C(C)S(=O)(=O)c1ccc(N)cc1Br.
What is the InChIKey of 2-(4-amino-2-bromophenyl)sulfonyl-N-pentan-3-ylpropanamide?
The InChIKey is GCIZWPGFKUDMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O3S/c1-4-11(5-2)17-14(18)9(3)21(19,20)13-7-6-10(16)8-12(13)15/h6-9,11H,4-5,16H2,1-3H3,(H,17,18).
What are the key properties of 2-(4-amino-2-bromophenyl)sulfonyl-N-pentan-3-ylpropanamide?
2-(4-amino-2-bromophenyl)sulfonyl-N-pentan-3-ylpropanamide has a molecular weight of 377.30 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-bromophenyl)sulfonyl-N-pentan-3-ylpropanamide is sourced from PubChem (CID 82839375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).