(2R)-2-[(3-bromophenyl)sulfonylamino]-N-propylpropanamide

C12H17BrN2O3S — CID 8800873

IUPAC(2R)-2-[(3-bromophenyl)sulfonylamino]-N-propylpropanamide
SMILESCCCNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C12H17BrN2O3S/c1-3-7-14-12(16)9(2)15-19(17,18)11-6-4-5-10(13)8-11/h4-6,8-9,15H,3,7H2,1-2H3,(H,14,16)/t9-/m1/s1
InChIKeyHFMKIRKGVCCMTA-SECBINFHSA-N
MW349.25 g/mol
LogP1.64
Rot. Bonds6

About (2R)-2-[(3-bromophenyl)sulfonylamino]-N-propylpropanamide

(2R)-2-[(3-bromophenyl)sulfonylamino]-N-propylpropanamide (PubChem CID 8800873) has the molecular formula C12H17BrN2O3S and a molecular weight of 349.25 g/mol. Its IUPAC name is (2R)-2-[(3-bromophenyl)sulfonylamino]-N-propylpropanamide.

Molecular Properties

Compound Name(2R)-2-[(3-bromophenyl)sulfonylamino]-N-propylpropanamide
PubChem CID8800873
Molecular FormulaC12H17BrN2O3S
Molecular Weight349.25 g/mol
Exact Mass348.01
IUPAC Name(2R)-2-[(3-bromophenyl)sulfonylamino]-N-propylpropanamide
SMILESCCCNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C12H17BrN2O3S/c1-3-7-14-12(16)9(2)15-19(17,18)11-6-4-5-10(13)8-11/h4-6,8-9,15H,3,7H2,1-2H3,(H,14,16)/t9-/m1/s1
InChIKeyHFMKIRKGVCCMTA-SECBINFHSA-N
XLogP1.64
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.25
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N~1~-cyclopentyl-N~2~-(phenylsulfonyl)alaninamide
CID 2957593
4-((3-Bromophenyl)sulfonyl)piperazin-2-one
CID 7509967
1-(4-Bromophenyl)sulfonyl-1,4-diazepan-5-one
CID 1535370
N~2~-[(4-bromophenyl)sulfonyl]-N~2~-ethyl-N-methylglycinamide
CID 2243369
3-(4-Bromobenzenesulfonamido)-N-butylpropanamide
CID 4138424
N~3~-[(4-bromophenyl)sulfonyl]-N~1~-[3-(dipropylamino)propyl]-beta-alaninamide
CID 9550268
(R)-4-acetamido-2-(4-bromophenylsulfonamido)-N-hydroxybutanamide
CID 45378250
4-((2,5-Dibromophenyl)sulfonyl)piperazin-2-one
CID 2604506
2-[benzenesulfonyl(ethyl)amino]-N-cyclopropylacetamide
CID 2985758
2-[(4-bromophenyl)sulfonyl-ethylamino]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 16275284
N~2~-[(4-bromophenyl)sulfonyl]-N~1~-cyclopentylglycinamide
CID 1296266
3-(4-Bromobenzenesulfonamido)-N-cyclohexylpropanamide
CID 7014344

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-bromophenyl)sulfonylamino]-N-propylpropanamide?
The IUPAC name of (2R)-2-[(3-bromophenyl)sulfonylamino]-N-propylpropanamide (CID 8800873) is (2R)-2-[(3-bromophenyl)sulfonylamino]-N-propylpropanamide.
What is the SMILES notation for (2R)-2-[(3-bromophenyl)sulfonylamino]-N-propylpropanamide?
The canonical SMILES for (2R)-2-[(3-bromophenyl)sulfonylamino]-N-propylpropanamide is CCCNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(Br)c1.
What is the InChIKey of (2R)-2-[(3-bromophenyl)sulfonylamino]-N-propylpropanamide?
The InChIKey is HFMKIRKGVCCMTA-SECBINFHSA-N. The full InChI is InChI=1S/C12H17BrN2O3S/c1-3-7-14-12(16)9(2)15-19(17,18)11-6-4-5-10(13)8-11/h4-6,8-9,15H,3,7H2,1-2H3,(H,14,16)/t9-/m1/s1.
What are the key properties of (2R)-2-[(3-bromophenyl)sulfonylamino]-N-propylpropanamide?
(2R)-2-[(3-bromophenyl)sulfonylamino]-N-propylpropanamide has a molecular weight of 349.25 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-bromophenyl)sulfonylamino]-N-propylpropanamide is sourced from PubChem (CID 8800873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).