2,3-dichloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzenesulfonamide

C15H20Cl2N2O2S — CID 71302394

IUPAC2,3-dichloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(c1cccc(Cl)c1Cl)N(CC1CCCNC1)C1CC1
InChIInChI=1S/C15H20Cl2N2O2S/c16-13-4-1-5-14(15(13)17)22(20,21)19(12-6-7-12)10-11-3-2-8-18-9-11/h1,4-5,11-12,18H,2-3,6-10H2
InChIKeyWNIHEOVSJWITRI-UHFFFAOYSA-N
MW363.31 g/mol
LogP3.15
Rot. Bonds5

About 2,3-dichloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzenesulfonamide

2,3-dichloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzenesulfonamide (PubChem CID 71302394) has the molecular formula C15H20Cl2N2O2S and a molecular weight of 363.31 g/mol. Its IUPAC name is 2,3-dichloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,3-dichloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzenesulfonamide
PubChem CID71302394
Molecular FormulaC15H20Cl2N2O2S
Molecular Weight363.31 g/mol
Exact Mass362.06
IUPAC Name2,3-dichloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(c1cccc(Cl)c1Cl)N(CC1CCCNC1)C1CC1
InChIInChI=1S/C15H20Cl2N2O2S/c16-13-4-1-5-14(15(13)17)22(20,21)19(12-6-7-12)10-11-3-2-8-18-9-11/h1,4-5,11-12,18H,2-3,6-10H2
InChIKeyWNIHEOVSJWITRI-UHFFFAOYSA-N
XLogP3.15
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.31
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzenesulfonamide
CID 106631237
5-chloro-N-cyclopropyl-4-methyl-N-(piperidin-3-ylmethyl)thiophene-2-sulfonamide
CID 106631230
2,3-dichloro-N-piperidin-4-yl-N-propylbenzenesulfonamide
CID 60806599
2,3-dichloro-N-cyclopropyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 43577659
N-cyclopropyl-N-(piperidin-3-ylmethyl)methanesulfonamide
CID 106631170
N-[(2,3-dichlorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 103815611
3-[(2,3-dichlorophenyl)methyl]piperidine
CID 91178565
2-chloro-N-cyclopropyl-6-fluoro-N-(piperidin-3-ylmethyl)benzamide
CID 106628756
N-[(2,6-dichlorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 113267788
N-cyclopropyl-3,3-dimethyl-N-(piperidin-3-ylmethyl)butane-1-sulfonamide
CID 106631277
N-ethyl-2-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide
CID 106631091
3-chloro-2-cyano-N-(piperidin-3-ylmethyl)benzenesulfonamide
CID 119968274

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 2,3-dichloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzenesulfonamide (CID 71302394) is 2,3-dichloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2,3-dichloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2,3-dichloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzenesulfonamide is O=S(=O)(c1cccc(Cl)c1Cl)N(CC1CCCNC1)C1CC1.
What is the InChIKey of 2,3-dichloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzenesulfonamide?
The InChIKey is WNIHEOVSJWITRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O2S/c16-13-4-1-5-14(15(13)17)22(20,21)19(12-6-7-12)10-11-3-2-8-18-9-11/h1,4-5,11-12,18H,2-3,6-10H2.
What are the key properties of 2,3-dichloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzenesulfonamide?
2,3-dichloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzenesulfonamide has a molecular weight of 363.31 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 71302394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).