2,3-dichloro-N-(cyclopropylmethyl)-N-pyridin-3-ylbenzenesulfonamide

C15H14Cl2N2O2S — CID 99607064

IUPAC2,3-dichloro-N-(cyclopropylmethyl)-N-pyridin-3-ylbenzenesulfonamide
SMILESO=S(=O)(c1cccc(Cl)c1Cl)N(CC1CC1)c1cccnc1
InChIInChI=1S/C15H14Cl2N2O2S/c16-13-4-1-5-14(15(13)17)22(20,21)19(10-11-6-7-11)12-3-2-8-18-9-12/h1-5,8-9,11H,6-7,10H2
InChIKeyYTIBONFQOYNSKP-UHFFFAOYSA-N
MW357.26 g/mol
LogP3.99
Rot. Bonds5

About 2,3-dichloro-N-(cyclopropylmethyl)-N-pyridin-3-ylbenzenesulfonamide

2,3-dichloro-N-(cyclopropylmethyl)-N-pyridin-3-ylbenzenesulfonamide (PubChem CID 99607064) has the molecular formula C15H14Cl2N2O2S and a molecular weight of 357.26 g/mol. Its IUPAC name is 2,3-dichloro-N-(cyclopropylmethyl)-N-pyridin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name2,3-dichloro-N-(cyclopropylmethyl)-N-pyridin-3-ylbenzenesulfonamide
PubChem CID99607064
Molecular FormulaC15H14Cl2N2O2S
Molecular Weight357.26 g/mol
Exact Mass356.02
IUPAC Name2,3-dichloro-N-(cyclopropylmethyl)-N-pyridin-3-ylbenzenesulfonamide
SMILESO=S(=O)(c1cccc(Cl)c1Cl)N(CC1CC1)c1cccnc1
InChIInChI=1S/C15H14Cl2N2O2S/c16-13-4-1-5-14(15(13)17)22(20,21)19(10-11-6-7-11)12-3-2-8-18-9-12/h1-5,8-9,11H,6-7,10H2
InChIKeyYTIBONFQOYNSKP-UHFFFAOYSA-N
XLogP3.99
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.26
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-(cyclopropylmethyl)-N-pyridin-3-ylbenzenesulfonamide?
The IUPAC name of 2,3-dichloro-N-(cyclopropylmethyl)-N-pyridin-3-ylbenzenesulfonamide (CID 99607064) is 2,3-dichloro-N-(cyclopropylmethyl)-N-pyridin-3-ylbenzenesulfonamide.
What is the SMILES notation for 2,3-dichloro-N-(cyclopropylmethyl)-N-pyridin-3-ylbenzenesulfonamide?
The canonical SMILES for 2,3-dichloro-N-(cyclopropylmethyl)-N-pyridin-3-ylbenzenesulfonamide is O=S(=O)(c1cccc(Cl)c1Cl)N(CC1CC1)c1cccnc1.
What is the InChIKey of 2,3-dichloro-N-(cyclopropylmethyl)-N-pyridin-3-ylbenzenesulfonamide?
The InChIKey is YTIBONFQOYNSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O2S/c16-13-4-1-5-14(15(13)17)22(20,21)19(10-11-6-7-11)12-3-2-8-18-9-12/h1-5,8-9,11H,6-7,10H2.
What are the key properties of 2,3-dichloro-N-(cyclopropylmethyl)-N-pyridin-3-ylbenzenesulfonamide?
2,3-dichloro-N-(cyclopropylmethyl)-N-pyridin-3-ylbenzenesulfonamide has a molecular weight of 357.26 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-(cyclopropylmethyl)-N-pyridin-3-ylbenzenesulfonamide is sourced from PubChem (CID 99607064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).