benzyl N-[3-[(4-chlorophenyl)sulfonylamino]propyl]carbamate

C17H19ClN2O4S — CID 172676297

IUPACbenzyl N-[3-[(4-chlorophenyl)sulfonylamino]propyl]carbamate
SMILESO=C(NCCCNS(=O)(=O)c1ccc(Cl)cc1)OCc1ccccc1
InChIInChI=1S/C17H19ClN2O4S/c18-15-7-9-16(10-8-15)25(22,23)20-12-4-11-19-17(21)24-13-14-5-2-1-3-6-14/h1-3,5-10,20H,4,11-13H2,(H,19,21)
InChIKeyGXSKZKNANJFGGD-UHFFFAOYSA-N
MW382.87 g/mol
LogP2.93
Rot. Bonds8

About benzyl N-[3-[(4-chlorophenyl)sulfonylamino]propyl]carbamate

benzyl N-[3-[(4-chlorophenyl)sulfonylamino]propyl]carbamate (PubChem CID 172676297) has the molecular formula C17H19ClN2O4S and a molecular weight of 382.87 g/mol. Its IUPAC name is benzyl N-[3-[(4-chlorophenyl)sulfonylamino]propyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-[(4-chlorophenyl)sulfonylamino]propyl]carbamate
PubChem CID172676297
Molecular FormulaC17H19ClN2O4S
Molecular Weight382.87 g/mol
Exact Mass382.08
IUPAC Namebenzyl N-[3-[(4-chlorophenyl)sulfonylamino]propyl]carbamate
SMILESO=C(NCCCNS(=O)(=O)c1ccc(Cl)cc1)OCc1ccccc1
InChIInChI=1S/C17H19ClN2O4S/c18-15-7-9-16(10-8-15)25(22,23)20-12-4-11-19-17(21)24-13-14-5-2-1-3-6-14/h1-3,5-10,20H,4,11-13H2,(H,19,21)
InChIKeyGXSKZKNANJFGGD-UHFFFAOYSA-N
XLogP2.93
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.87
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze benzyl N-[3-[(4-chlorophenyl)sulfonylamino]propyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-chlorophenyl)methyl 3-(benzenesulfonamido)propanoate
CID 7913012
benzyl N-[18-(phenylmethoxycarbonylamino)octadecyl]carbamate
CID 67828631
benzyl N-[7-(phenylmethoxycarbonylamino)heptyl]carbamate
CID 562919
benzyl N-[3-[(4-phenyl-3-propan-2-yloxyphenyl)sulfonylamino]propyl]carbamate
CID 67159223
benzyl N-(3-aminopropyl)carbamate;hydron;chloride
CID 44828785
benzyl N-[4-(4-aminobutylamino)butyl]carbamate
CID 155065832
[2-(benzylamino)-2-oxoethyl] 3-[(4-chlorophenyl)sulfonylamino]propanoate
CID 4781337
benzyl N-[(5S)-6-chloro-5-[(4-methylphenyl)sulfonylamino]-6-oxohexyl]carbamate
CID 14082524
benzyl (2S)-2-amino-5-(phenylmethoxycarbonylamino)pentanoate
CID 14808145
benzyl (2R)-2-amino-5-(phenylmethoxycarbonylamino)pentanoate
CID 14808146
4-chloro-N-(3-hydroxypropyl)benzenesulfonamide
CID 5127490
benzyl N-(8-bromooctyl)carbamate
CID 86200547

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-[(4-chlorophenyl)sulfonylamino]propyl]carbamate?
The IUPAC name of benzyl N-[3-[(4-chlorophenyl)sulfonylamino]propyl]carbamate (CID 172676297) is benzyl N-[3-[(4-chlorophenyl)sulfonylamino]propyl]carbamate.
What is the SMILES notation for benzyl N-[3-[(4-chlorophenyl)sulfonylamino]propyl]carbamate?
The canonical SMILES for benzyl N-[3-[(4-chlorophenyl)sulfonylamino]propyl]carbamate is O=C(NCCCNS(=O)(=O)c1ccc(Cl)cc1)OCc1ccccc1.
What is the InChIKey of benzyl N-[3-[(4-chlorophenyl)sulfonylamino]propyl]carbamate?
The InChIKey is GXSKZKNANJFGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O4S/c18-15-7-9-16(10-8-15)25(22,23)20-12-4-11-19-17(21)24-13-14-5-2-1-3-6-14/h1-3,5-10,20H,4,11-13H2,(H,19,21).
What are the key properties of benzyl N-[3-[(4-chlorophenyl)sulfonylamino]propyl]carbamate?
benzyl N-[3-[(4-chlorophenyl)sulfonylamino]propyl]carbamate has a molecular weight of 382.87 g/mol, XLogP of 2.93, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-[(4-chlorophenyl)sulfonylamino]propyl]carbamate is sourced from PubChem (CID 172676297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).