3,5-dichloro-N-(cyclopropylmethyl)benzenesulfonamide

C10H11Cl2NO2S — CID 2799391

IUPAC3,5-dichloro-N-(cyclopropylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCC1CC1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H11Cl2NO2S/c11-8-3-9(12)5-10(4-8)16(14,15)13-6-7-1-2-7/h3-5,7,13H,1-2,6H2
InChIKeyDLPYSOHKEICUBY-UHFFFAOYSA-N
MW280.18 g/mol
LogP2.68
Rot. Bonds4

About 3,5-dichloro-N-(cyclopropylmethyl)benzenesulfonamide

3,5-dichloro-N-(cyclopropylmethyl)benzenesulfonamide (PubChem CID 2799391) has the molecular formula C10H11Cl2NO2S and a molecular weight of 280.18 g/mol. Its IUPAC name is 3,5-dichloro-N-(cyclopropylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-N-(cyclopropylmethyl)benzenesulfonamide
PubChem CID2799391
Molecular FormulaC10H11Cl2NO2S
Molecular Weight280.18 g/mol
Exact Mass278.99
IUPAC Name3,5-dichloro-N-(cyclopropylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCC1CC1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H11Cl2NO2S/c11-8-3-9(12)5-10(4-8)16(14,15)13-6-7-1-2-7/h3-5,7,13H,1-2,6H2
InChIKeyDLPYSOHKEICUBY-UHFFFAOYSA-N
XLogP2.68
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.18
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dichloro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 103835805
3-chloro-N-(cyclopentylmethyl)benzenesulfonamide
CID 43066015
3,5-dichloro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 62540409
N-[[2-(bromomethyl)cyclohexyl]methyl]-3,5-dichlorobenzenesulfonamide
CID 114295411
2-chloro-N-(cyclopropylmethyl)pyrimidine-5-sulfonamide
CID 43456299
4-(cyclopropylmethylsulfamoyl)benzenesulfonyl chloride
CID 18072907
3-(aminomethyl)-4-chloro-N-(cyclopropylmethyl)-5-fluorobenzenesulfonamide
CID 81457460
3-chloro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 103270183
N-[(4-chlorocyclohexyl)methyl]-3,4-difluorobenzenesulfonamide
CID 106136198
3-bromo-N-(cyclopropylmethyl)-4-fluorobenzenesulfonamide
CID 163393416
3,5-dichloro-N-cyclopropylbenzenesulfonamide
CID 26947993
3,5-dichloro-N-(2-chloroethyl)benzenesulfonamide
CID 61287690

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(cyclopropylmethyl)benzenesulfonamide?
The IUPAC name of 3,5-dichloro-N-(cyclopropylmethyl)benzenesulfonamide (CID 2799391) is 3,5-dichloro-N-(cyclopropylmethyl)benzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-N-(cyclopropylmethyl)benzenesulfonamide?
The canonical SMILES for 3,5-dichloro-N-(cyclopropylmethyl)benzenesulfonamide is O=S(=O)(NCC1CC1)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-(cyclopropylmethyl)benzenesulfonamide?
The InChIKey is DLPYSOHKEICUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO2S/c11-8-3-9(12)5-10(4-8)16(14,15)13-6-7-1-2-7/h3-5,7,13H,1-2,6H2.
What are the key properties of 3,5-dichloro-N-(cyclopropylmethyl)benzenesulfonamide?
3,5-dichloro-N-(cyclopropylmethyl)benzenesulfonamide has a molecular weight of 280.18 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(cyclopropylmethyl)benzenesulfonamide is sourced from PubChem (CID 2799391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).