3-chloro-N-(2-cyclopropylpropyl)-4-(ethylaminomethyl)benzenesulfonamide

C15H23ClN2O2S — CID 107091649

IUPAC3-chloro-N-(2-cyclopropylpropyl)-4-(ethylaminomethyl)benzenesulfonamide
SMILESCCNCc1ccc(S(=O)(=O)NCC(C)C2CC2)cc1Cl
InChIInChI=1S/C15H23ClN2O2S/c1-3-17-10-13-6-7-14(8-15(13)16)21(19,20)18-9-11(2)12-4-5-12/h6-8,11-12,17-18H,3-5,9-10H2,1-2H3
InChIKeyBIQYYPDJYIZUBL-UHFFFAOYSA-N
MW330.88 g/mol
LogP2.77
Rot. Bonds8

About 3-chloro-N-(2-cyclopropylpropyl)-4-(ethylaminomethyl)benzenesulfonamide

3-chloro-N-(2-cyclopropylpropyl)-4-(ethylaminomethyl)benzenesulfonamide (PubChem CID 107091649) has the molecular formula C15H23ClN2O2S and a molecular weight of 330.88 g/mol. Its IUPAC name is 3-chloro-N-(2-cyclopropylpropyl)-4-(ethylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(2-cyclopropylpropyl)-4-(ethylaminomethyl)benzenesulfonamide
PubChem CID107091649
Molecular FormulaC15H23ClN2O2S
Molecular Weight330.88 g/mol
Exact Mass330.12
IUPAC Name3-chloro-N-(2-cyclopropylpropyl)-4-(ethylaminomethyl)benzenesulfonamide
SMILESCCNCc1ccc(S(=O)(=O)NCC(C)C2CC2)cc1Cl
InChIInChI=1S/C15H23ClN2O2S/c1-3-17-10-13-6-7-14(8-15(13)16)21(19,20)18-9-11(2)12-4-5-12/h6-8,11-12,17-18H,3-5,9-10H2,1-2H3
InChIKeyBIQYYPDJYIZUBL-UHFFFAOYSA-N
XLogP2.77
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.88
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(2-cyclopropylpropyl)-4-(methylaminomethyl)benzenesulfonamide
CID 107091650
3-chloro-4-(ethylaminomethyl)-N-(2-methylsulfanylpropyl)benzenesulfonamide
CID 106077984
4-chloro-N-[2-(dimethylamino)propyl]-3-(ethylaminomethyl)benzenesulfonamide
CID 106017229
3-chloro-N-(2-methylpropyl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 107091328
N-tert-butyl-3-chloro-4-(ethylaminomethyl)benzenesulfonamide
CID 107091310
3-chloro-4-(ethylaminomethyl)-N-(1-ethylsulfanylpropan-2-yl)benzenesulfonamide
CID 106083430
3-chloro-4-(ethylaminomethyl)-N-(furan-3-ylmethyl)benzenesulfonamide
CID 107091695
4-chloro-3-(ethylaminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
CID 106064780
3-chloro-4-(ethylaminomethyl)-N-piperidin-1-ylbenzenesulfonamide
CID 106075428
5-(2-cyclopropylpropylsulfamoyl)-2-methylbenzoic acid
CID 115591314
3-chloro-N-cyclopropyl-N-ethyl-4-(ethylaminomethyl)benzenesulfonamide
CID 107091207
3-chloro-4-[(cyclopropylamino)methyl]-N-propylbenzenesulfonamide
CID 107091304

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-cyclopropylpropyl)-4-(ethylaminomethyl)benzenesulfonamide?
The IUPAC name of 3-chloro-N-(2-cyclopropylpropyl)-4-(ethylaminomethyl)benzenesulfonamide (CID 107091649) is 3-chloro-N-(2-cyclopropylpropyl)-4-(ethylaminomethyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(2-cyclopropylpropyl)-4-(ethylaminomethyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-N-(2-cyclopropylpropyl)-4-(ethylaminomethyl)benzenesulfonamide is CCNCc1ccc(S(=O)(=O)NCC(C)C2CC2)cc1Cl.
What is the InChIKey of 3-chloro-N-(2-cyclopropylpropyl)-4-(ethylaminomethyl)benzenesulfonamide?
The InChIKey is BIQYYPDJYIZUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2S/c1-3-17-10-13-6-7-14(8-15(13)16)21(19,20)18-9-11(2)12-4-5-12/h6-8,11-12,17-18H,3-5,9-10H2,1-2H3.
What are the key properties of 3-chloro-N-(2-cyclopropylpropyl)-4-(ethylaminomethyl)benzenesulfonamide?
3-chloro-N-(2-cyclopropylpropyl)-4-(ethylaminomethyl)benzenesulfonamide has a molecular weight of 330.88 g/mol, XLogP of 2.77, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-cyclopropylpropyl)-4-(ethylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 107091649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).