2,5-dichloro-N-[(1-phenylcyclopropyl)methyl]benzenesulfonamide

C16H15Cl2NO2S — CID 42269295

IUPAC2,5-dichloro-N-[(1-phenylcyclopropyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1(c2ccccc2)CC1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H15Cl2NO2S/c17-13-6-7-14(18)15(10-13)22(20,21)19-11-16(8-9-16)12-4-2-1-3-5-12/h1-7,10,19H,8-9,11H2
InChIKeyIBIHMQVYHKDYKC-UHFFFAOYSA-N
MW356.27 g/mol
LogP4.00
Rot. Bonds5

About 2,5-dichloro-N-[(1-phenylcyclopropyl)methyl]benzenesulfonamide

2,5-dichloro-N-[(1-phenylcyclopropyl)methyl]benzenesulfonamide (PubChem CID 42269295) has the molecular formula C16H15Cl2NO2S and a molecular weight of 356.27 g/mol. Its IUPAC name is 2,5-dichloro-N-[(1-phenylcyclopropyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[(1-phenylcyclopropyl)methyl]benzenesulfonamide
PubChem CID42269295
Molecular FormulaC16H15Cl2NO2S
Molecular Weight356.27 g/mol
Exact Mass355.02
IUPAC Name2,5-dichloro-N-[(1-phenylcyclopropyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1(c2ccccc2)CC1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H15Cl2NO2S/c17-13-6-7-14(18)15(10-13)22(20,21)19-11-16(8-9-16)12-4-2-1-3-5-12/h1-7,10,19H,8-9,11H2
InChIKeyIBIHMQVYHKDYKC-UHFFFAOYSA-N
XLogP4.00
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.27
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-2-methyl-N-[(1-phenylcyclopropyl)methyl]benzenesulfonamide
CID 39628447
2-chloro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]benzenesulfonamide
CID 42269699
N-[(1-aminocyclohexyl)methyl]-2,5-dichlorobenzenesulfonamide;hydrochloride
CID 119958821
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]benzenesulfonamide
CID 110444598
2,3,4-trifluoro-N-[(1-phenylcyclobutyl)methyl]benzenesulfonamide
CID 51111664
2,5-dichloro-N-[(3-hydroxyazetidin-3-yl)methyl]benzenesulfonamide
CID 114189630
2-chloro-N-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]benzenesulfonamide
CID 113090921
4-methyl-N-[(1-phenylcyclopropyl)methyl]benzenesulfonamide
CID 42269303
2,5-dichloro-N-[(2-fluorophenyl)methyl]benzenesulfonamide
CID 4858598
N-[(1-phenylcyclopropyl)methyl]thiophene-2-sulfonamide
CID 42269285
2,4,5-trimethyl-N-[(4-phenyloxan-4-yl)methyl]benzenesulfonamide
CID 27450272
2,5-dichloro-N-(2,5-dichlorophenyl)sulfonylbenzenesulfonamide
CID 121010955

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[(1-phenylcyclopropyl)methyl]benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[(1-phenylcyclopropyl)methyl]benzenesulfonamide (CID 42269295) is 2,5-dichloro-N-[(1-phenylcyclopropyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[(1-phenylcyclopropyl)methyl]benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[(1-phenylcyclopropyl)methyl]benzenesulfonamide is O=S(=O)(NCC1(c2ccccc2)CC1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-[(1-phenylcyclopropyl)methyl]benzenesulfonamide?
The InChIKey is IBIHMQVYHKDYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO2S/c17-13-6-7-14(18)15(10-13)22(20,21)19-11-16(8-9-16)12-4-2-1-3-5-12/h1-7,10,19H,8-9,11H2.
What are the key properties of 2,5-dichloro-N-[(1-phenylcyclopropyl)methyl]benzenesulfonamide?
2,5-dichloro-N-[(1-phenylcyclopropyl)methyl]benzenesulfonamide has a molecular weight of 356.27 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[(1-phenylcyclopropyl)methyl]benzenesulfonamide is sourced from PubChem (CID 42269295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).