(2S)-2-[(3,4-dichlorophenyl)sulfonylamino]pentanediamide

C11H13Cl2N3O4S — CID 131855550

IUPAC(2S)-2-[(3,4-dichlorophenyl)sulfonylamino]pentanediamide
SMILESNC(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(N)=O
InChIInChI=1S/C11H13Cl2N3O4S/c12-7-2-1-6(5-8(7)13)21(19,20)16-9(11(15)18)3-4-10(14)17/h1-2,5,9,16H,3-4H2,(H2,14,17)(H2,15,18)/t9-/m0/s1
InChIKeyPAMIZEIOHDQHID-VIFPVBQESA-N
MW354.22 g/mol
LogP0.39
Rot. Bonds7

About (2S)-2-[(3,4-dichlorophenyl)sulfonylamino]pentanediamide

(2S)-2-[(3,4-dichlorophenyl)sulfonylamino]pentanediamide (PubChem CID 131855550) has the molecular formula C11H13Cl2N3O4S and a molecular weight of 354.22 g/mol. Its IUPAC name is (2S)-2-[(3,4-dichlorophenyl)sulfonylamino]pentanediamide.

Molecular Properties

Compound Name(2S)-2-[(3,4-dichlorophenyl)sulfonylamino]pentanediamide
PubChem CID131855550
Molecular FormulaC11H13Cl2N3O4S
Molecular Weight354.22 g/mol
Exact Mass353.00
IUPAC Name(2S)-2-[(3,4-dichlorophenyl)sulfonylamino]pentanediamide
SMILESNC(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(N)=O
InChIInChI=1S/C11H13Cl2N3O4S/c12-7-2-1-6(5-8(7)13)21(19,20)16-9(11(15)18)3-4-10(14)17/h1-2,5,9,16H,3-4H2,(H2,14,17)(H2,15,18)/t9-/m0/s1
InChIKeyPAMIZEIOHDQHID-VIFPVBQESA-N
XLogP0.39
TPSA132.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.22
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-5-amino-2-[(3,4-dichlorophenyl)sulfonylamino]-5-oxopentanoic acid
CID 104935542
2-(benzenesulfonamido)pentanediamide
CID 71384470
(2S)-2-[(4-tert-butylphenyl)sulfonylamino]pentanediamide
CID 25197502
methyl 2-[(3,4-dichlorophenyl)sulfonylamino]-4-methylpentanoate
CID 43404937
2-[(3-bromo-4-chlorophenyl)sulfonylamino]pentanedioic acid
CID 106605240
(2S)-2-[(3,4-dichlorophenyl)sulfonylamino]-4-methylsulfanylbutanoate
CID 2427322
(3S)-3-cyclopropyl-3-[(3,4-dichlorophenyl)sulfonylamino]propanamide
CID 95776994
2-[(3,4-dichlorophenyl)sulfonylamino]-3-phenylpropanoic acid
CID 43827519
(2S)-N,N'-dibenzyl-2-[(3,4-dichlorophenyl)sulfonylamino]pentanediamide
CID 25197369
(2S)-5-amino-2-[(4-bromo-3-methylphenyl)sulfonylamino]-5-oxopentanoic acid
CID 61141460
(2S)-5-amino-2-[(4-bromo-3-fluorophenyl)sulfonylamino]-5-oxopentanoic acid
CID 104934647
(2R)-5-amino-2-[(4-bromo-2-chlorophenyl)sulfonylamino]-5-oxopentanoic acid
CID 28829198

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3,4-dichlorophenyl)sulfonylamino]pentanediamide?
The IUPAC name of (2S)-2-[(3,4-dichlorophenyl)sulfonylamino]pentanediamide (CID 131855550) is (2S)-2-[(3,4-dichlorophenyl)sulfonylamino]pentanediamide.
What is the SMILES notation for (2S)-2-[(3,4-dichlorophenyl)sulfonylamino]pentanediamide?
The canonical SMILES for (2S)-2-[(3,4-dichlorophenyl)sulfonylamino]pentanediamide is NC(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(N)=O.
What is the InChIKey of (2S)-2-[(3,4-dichlorophenyl)sulfonylamino]pentanediamide?
The InChIKey is PAMIZEIOHDQHID-VIFPVBQESA-N. The full InChI is InChI=1S/C11H13Cl2N3O4S/c12-7-2-1-6(5-8(7)13)21(19,20)16-9(11(15)18)3-4-10(14)17/h1-2,5,9,16H,3-4H2,(H2,14,17)(H2,15,18)/t9-/m0/s1.
What are the key properties of (2S)-2-[(3,4-dichlorophenyl)sulfonylamino]pentanediamide?
(2S)-2-[(3,4-dichlorophenyl)sulfonylamino]pentanediamide has a molecular weight of 354.22 g/mol, XLogP of 0.39, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3,4-dichlorophenyl)sulfonylamino]pentanediamide is sourced from PubChem (CID 131855550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).