N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-4-(methylamino)butanamide;hydrochloride

C13H21Cl2N3O3S — CID 119704291

IUPACN-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-4-(methylamino)butanamide;hydrochloride
SMILESCNCCCC(=O)NCCNS(=O)(=O)c1cccc(Cl)c1.Cl
InChIInChI=1S/C13H20ClN3O3S.ClH/c1-15-7-3-6-13(18)16-8-9-17-21(19,20)12-5-2-4-11(14)10-12;/h2,4-5,10,15,17H,3,6-9H2,1H3,(H,16,18);1H
InChIKeyYZSCCXXWCOCSGH-UHFFFAOYSA-N
MW370.30 g/mol
LogP1.16
Rot. Bonds9

About N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-4-(methylamino)butanamide;hydrochloride

N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-4-(methylamino)butanamide;hydrochloride (PubChem CID 119704291) has the molecular formula C13H21Cl2N3O3S and a molecular weight of 370.30 g/mol. Its IUPAC name is N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-4-(methylamino)butanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-4-(methylamino)butanamide;hydrochloride
PubChem CID119704291
Molecular FormulaC13H21Cl2N3O3S
Molecular Weight370.30 g/mol
Exact Mass369.07
IUPAC NameN-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-4-(methylamino)butanamide;hydrochloride
SMILESCNCCCC(=O)NCCNS(=O)(=O)c1cccc(Cl)c1.Cl
InChIInChI=1S/C13H20ClN3O3S.ClH/c1-15-7-3-6-13(18)16-8-9-17-21(19,20)12-5-2-4-11(14)10-12;/h2,4-5,10,15,17H,3,6-9H2,1H3,(H,16,18);1H
InChIKeyYZSCCXXWCOCSGH-UHFFFAOYSA-N
XLogP1.16
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.30
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(benzenesulfonamido)ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119704245
3-chloro-N-[3-(methylamino)propyl]benzenesulfonamide
CID 43605915
N-[2-(methylamino)ethyl]-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanamide;hydrochloride
CID 119503433
N-[3-(methylamino)propyl]-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanamide;hydrochloride
CID 119433256
4-(methylamino)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]butanamide
CID 119704161
4-[(3-chlorophenyl)sulfonylamino]butanoic acid
CID 28829036
N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-phenoxypropanamide
CID 32998656
N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-(4-methoxyphenyl)sulfanylpropanamide
CID 33000051
N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-(3,4-difluorophenyl)propanamide
CID 55609087
(2S)-2-amino-N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]propanamide
CID 119279126
4-(methylamino)-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]butanamide;hydrochloride
CID 119752364
3-[(3-chlorophenyl)sulfonylamino]-N-propan-2-ylpropanamide
CID 27648389

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-4-(methylamino)butanamide;hydrochloride?
The IUPAC name of N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-4-(methylamino)butanamide;hydrochloride (CID 119704291) is N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-4-(methylamino)butanamide;hydrochloride.
What is the SMILES notation for N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-4-(methylamino)butanamide;hydrochloride?
The canonical SMILES for N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-4-(methylamino)butanamide;hydrochloride is CNCCCC(=O)NCCNS(=O)(=O)c1cccc(Cl)c1.Cl.
What is the InChIKey of N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-4-(methylamino)butanamide;hydrochloride?
The InChIKey is YZSCCXXWCOCSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O3S.ClH/c1-15-7-3-6-13(18)16-8-9-17-21(19,20)12-5-2-4-11(14)10-12;/h2,4-5,10,15,17H,3,6-9H2,1H3,(H,16,18);1H.
What are the key properties of N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-4-(methylamino)butanamide;hydrochloride?
N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-4-(methylamino)butanamide;hydrochloride has a molecular weight of 370.30 g/mol, XLogP of 1.16, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-4-(methylamino)butanamide;hydrochloride is sourced from PubChem (CID 119704291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).