2-chloro-5-cyano-N,N-bis(cyclopropylmethyl)benzenesulfonamide

C15H17ClN2O2S — CID 80693301

IUPAC2-chloro-5-cyano-N,N-bis(cyclopropylmethyl)benzenesulfonamide
SMILESN#Cc1ccc(Cl)c(S(=O)(=O)N(CC2CC2)CC2CC2)c1
InChIInChI=1S/C15H17ClN2O2S/c16-14-6-5-13(8-17)7-15(14)21(19,20)18(9-11-1-2-11)10-12-3-4-12/h5-7,11-12H,1-4,9-10H2
InChIKeyFJMMROAPFNEDEW-UHFFFAOYSA-N
MW324.83 g/mol
LogP3.02
Rot. Bonds6

About 2-chloro-5-cyano-N,N-bis(cyclopropylmethyl)benzenesulfonamide

2-chloro-5-cyano-N,N-bis(cyclopropylmethyl)benzenesulfonamide (PubChem CID 80693301) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is 2-chloro-5-cyano-N,N-bis(cyclopropylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-cyano-N,N-bis(cyclopropylmethyl)benzenesulfonamide
PubChem CID80693301
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC Name2-chloro-5-cyano-N,N-bis(cyclopropylmethyl)benzenesulfonamide
SMILESN#Cc1ccc(Cl)c(S(=O)(=O)N(CC2CC2)CC2CC2)c1
InChIInChI=1S/C15H17ClN2O2S/c16-14-6-5-13(8-17)7-15(14)21(19,20)18(9-11-1-2-11)10-12-3-4-12/h5-7,11-12H,1-4,9-10H2
InChIKeyFJMMROAPFNEDEW-UHFFFAOYSA-N
XLogP3.02
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.83
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-cyano-N-(cyanomethyl)-N-cyclopentylbenzenesulfonamide
CID 80697349
2-chloro-5-cyano-N-cyclohexyl-N-ethylbenzenesulfonamide
CID 80697368
2-chloro-5-cyano-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 80697087
2-chloro-5-cyano-N-methyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 80704707
2-amino-4-cyano-N-(cyclopropylmethyl)-N-methylbenzenesulfonamide
CID 64900648
2-chloro-5-cyano-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 112659609
2-chloro-5-cyano-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide
CID 80704425
2-chloro-4-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608125
2-chloro-N-(cyclopropylmethyl)-N-propyl-5-(trifluoromethyl)benzenesulfonamide
CID 55353365
2-chloro-5-cyano-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide
CID 80704097
methyl 2-[(2-chloro-5-cyanophenyl)sulfonyl-methylamino]acetate
CID 80704406
2-chloro-5-cyano-N-ethylbenzenesulfonamide
CID 80704238

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-cyano-N,N-bis(cyclopropylmethyl)benzenesulfonamide?
The IUPAC name of 2-chloro-5-cyano-N,N-bis(cyclopropylmethyl)benzenesulfonamide (CID 80693301) is 2-chloro-5-cyano-N,N-bis(cyclopropylmethyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-5-cyano-N,N-bis(cyclopropylmethyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-5-cyano-N,N-bis(cyclopropylmethyl)benzenesulfonamide is N#Cc1ccc(Cl)c(S(=O)(=O)N(CC2CC2)CC2CC2)c1.
What is the InChIKey of 2-chloro-5-cyano-N,N-bis(cyclopropylmethyl)benzenesulfonamide?
The InChIKey is FJMMROAPFNEDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2S/c16-14-6-5-13(8-17)7-15(14)21(19,20)18(9-11-1-2-11)10-12-3-4-12/h5-7,11-12H,1-4,9-10H2.
What are the key properties of 2-chloro-5-cyano-N,N-bis(cyclopropylmethyl)benzenesulfonamide?
2-chloro-5-cyano-N,N-bis(cyclopropylmethyl)benzenesulfonamide has a molecular weight of 324.83 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-cyano-N,N-bis(cyclopropylmethyl)benzenesulfonamide is sourced from PubChem (CID 80693301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).