N-butan-2-yl-5-chloro-3-(ethylaminomethyl)-N,2-dimethylbenzenesulfonamide

C15H25ClN2O2S — CID 82878757

IUPACN-butan-2-yl-5-chloro-3-(ethylaminomethyl)-N,2-dimethylbenzenesulfonamide
SMILESCCNCc1cc(Cl)cc(S(=O)(=O)N(C)C(C)CC)c1C
InChIInChI=1S/C15H25ClN2O2S/c1-6-11(3)18(5)21(19,20)15-9-14(16)8-13(12(15)4)10-17-7-2/h8-9,11,17H,6-7,10H2,1-5H3
InChIKeyDJVMDRIGMHYWDT-UHFFFAOYSA-N
MW332.90 g/mol
LogP3.18
Rot. Bonds7

About N-butan-2-yl-5-chloro-3-(ethylaminomethyl)-N,2-dimethylbenzenesulfonamide

N-butan-2-yl-5-chloro-3-(ethylaminomethyl)-N,2-dimethylbenzenesulfonamide (PubChem CID 82878757) has the molecular formula C15H25ClN2O2S and a molecular weight of 332.90 g/mol. Its IUPAC name is N-butan-2-yl-5-chloro-3-(ethylaminomethyl)-N,2-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-butan-2-yl-5-chloro-3-(ethylaminomethyl)-N,2-dimethylbenzenesulfonamide
PubChem CID82878757
Molecular FormulaC15H25ClN2O2S
Molecular Weight332.90 g/mol
Exact Mass332.13
IUPAC NameN-butan-2-yl-5-chloro-3-(ethylaminomethyl)-N,2-dimethylbenzenesulfonamide
SMILESCCNCc1cc(Cl)cc(S(=O)(=O)N(C)C(C)CC)c1C
InChIInChI=1S/C15H25ClN2O2S/c1-6-11(3)18(5)21(19,20)15-9-14(16)8-13(12(15)4)10-17-7-2/h8-9,11,17H,6-7,10H2,1-5H3
InChIKeyDJVMDRIGMHYWDT-UHFFFAOYSA-N
XLogP3.18
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.90
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-5-chloro-N,2-dimethyl-3-(methylaminomethyl)benzenesulfonamide
CID 82884539
5-chloro-N,2-dimethyl-N-propan-2-yl-3-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 82879348
5-chloro-N-ethyl-3-(ethylaminomethyl)-2-methylbenzenesulfonamide
CID 82885173
5-chloro-N-[2-(dimethylamino)ethyl]-3-(ethylaminomethyl)-2-methylbenzenesulfonamide
CID 106032746
5-chloro-3-(hydroxymethyl)-N,2-dimethyl-N-pentan-3-ylbenzenesulfonamide
CID 82891311
5-chloro-N-(2,2-difluoroethyl)-3-(ethylaminomethyl)-2-methylbenzenesulfonamide
CID 82885091
5-chloro-3-(ethylaminomethyl)-2-methyl-N-(2-methylcyclopropyl)benzenesulfonamide
CID 82885354
5-chloro-N-cyclopentyl-3-(ethylaminomethyl)-2-methylbenzenesulfonamide
CID 82879252
5-chloro-N-cyclopropyl-N,2-dimethyl-3-(methylaminomethyl)benzenesulfonamide
CID 82884636
5-chloro-N-(2-ethoxyethyl)-N,2-dimethyl-3-(methylaminomethyl)benzenesulfonamide
CID 82878475
3-[butan-2-yl(methyl)sulfamoyl]-4,5-dimethylbenzoic acid
CID 43272671
2,5-dichloro-3-(ethylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 106079670

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-chloro-3-(ethylaminomethyl)-N,2-dimethylbenzenesulfonamide?
The IUPAC name of N-butan-2-yl-5-chloro-3-(ethylaminomethyl)-N,2-dimethylbenzenesulfonamide (CID 82878757) is N-butan-2-yl-5-chloro-3-(ethylaminomethyl)-N,2-dimethylbenzenesulfonamide.
What is the SMILES notation for N-butan-2-yl-5-chloro-3-(ethylaminomethyl)-N,2-dimethylbenzenesulfonamide?
The canonical SMILES for N-butan-2-yl-5-chloro-3-(ethylaminomethyl)-N,2-dimethylbenzenesulfonamide is CCNCc1cc(Cl)cc(S(=O)(=O)N(C)C(C)CC)c1C.
What is the InChIKey of N-butan-2-yl-5-chloro-3-(ethylaminomethyl)-N,2-dimethylbenzenesulfonamide?
The InChIKey is DJVMDRIGMHYWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2O2S/c1-6-11(3)18(5)21(19,20)15-9-14(16)8-13(12(15)4)10-17-7-2/h8-9,11,17H,6-7,10H2,1-5H3.
What are the key properties of N-butan-2-yl-5-chloro-3-(ethylaminomethyl)-N,2-dimethylbenzenesulfonamide?
N-butan-2-yl-5-chloro-3-(ethylaminomethyl)-N,2-dimethylbenzenesulfonamide has a molecular weight of 332.90 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-chloro-3-(ethylaminomethyl)-N,2-dimethylbenzenesulfonamide is sourced from PubChem (CID 82878757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).