1-chloro-N-phenyl-N-propylmethanesulfonamide

C10H14ClNO2S — CID 118574649

IUPAC1-chloro-N-phenyl-N-propylmethanesulfonamide
SMILESCCCN(c1ccccc1)S(=O)(=O)CCl
InChIInChI=1S/C10H14ClNO2S/c1-2-8-12(15(13,14)9-11)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
InChIKeyFVBNVAYMSIEZHC-UHFFFAOYSA-N
MW247.75 g/mol
LogP2.43
Rot. Bonds5

About 1-chloro-N-phenyl-N-propylmethanesulfonamide

1-chloro-N-phenyl-N-propylmethanesulfonamide (PubChem CID 118574649) has the molecular formula C10H14ClNO2S and a molecular weight of 247.75 g/mol. Its IUPAC name is 1-chloro-N-phenyl-N-propylmethanesulfonamide.

Molecular Properties

Compound Name1-chloro-N-phenyl-N-propylmethanesulfonamide
PubChem CID118574649
Molecular FormulaC10H14ClNO2S
Molecular Weight247.75 g/mol
Exact Mass247.04
IUPAC Name1-chloro-N-phenyl-N-propylmethanesulfonamide
SMILESCCCN(c1ccccc1)S(=O)(=O)CCl
InChIInChI=1S/C10H14ClNO2S/c1-2-8-12(15(13,14)9-11)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
InChIKeyFVBNVAYMSIEZHC-UHFFFAOYSA-N
XLogP2.43
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.75
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-3-chloro-N-phenylpropane-1-sulfonamide
CID 43654480
N-(4-aminophenyl)-1-phenyl-N-propylmethanesulfonamide
CID 63233636
(2E)-N-phenyl-2-[(Z)-prop-1-enyl]-N-propylpenta-2,4-diene-1-sulfonamide
CID 143745619
4-[butyl(phenyl)sulfamoyl]butanoic acid
CID 43619879
3-fluoro-N-phenyl-N-propylbenzenesulfonamide
CID 142103274
4-[propyl(propylsulfonyl)amino]benzoic acid
CID 54347808
2-nitro-N-phenyl-N-propylbenzenesulfonamide
CID 167167551
3-(N-methylsulfonylanilino)-N,N-dipropylpropanamide
CID 113141498
N-butyl-N-phenylethenesulfonamide
CID 129322798
N-(4-aminophenyl)-N-propylbutane-1-sulfonamide
CID 55173436
N-butyl-N-phenyl-3-(propan-2-ylamino)propane-1-sulfonamide
CID 64586372
N-(2-aminoethyl)-N-(4-chlorophenyl)ethanesulfonamide
CID 28769588

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-phenyl-N-propylmethanesulfonamide?
The IUPAC name of 1-chloro-N-phenyl-N-propylmethanesulfonamide (CID 118574649) is 1-chloro-N-phenyl-N-propylmethanesulfonamide.
What is the SMILES notation for 1-chloro-N-phenyl-N-propylmethanesulfonamide?
The canonical SMILES for 1-chloro-N-phenyl-N-propylmethanesulfonamide is CCCN(c1ccccc1)S(=O)(=O)CCl.
What is the InChIKey of 1-chloro-N-phenyl-N-propylmethanesulfonamide?
The InChIKey is FVBNVAYMSIEZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2S/c1-2-8-12(15(13,14)9-11)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3.
What are the key properties of 1-chloro-N-phenyl-N-propylmethanesulfonamide?
1-chloro-N-phenyl-N-propylmethanesulfonamide has a molecular weight of 247.75 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-phenyl-N-propylmethanesulfonamide is sourced from PubChem (CID 118574649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).