1-(3,4-dichlorophenyl)-N-[2-[di(propan-2-yl)amino]ethyl]methanesulfonamide

C15H24Cl2N2O2S — CID 56513128

IUPAC1-(3,4-dichlorophenyl)-N-[2-[di(propan-2-yl)amino]ethyl]methanesulfonamide
SMILESCC(C)N(CCNS(=O)(=O)Cc1ccc(Cl)c(Cl)c1)C(C)C
InChIInChI=1S/C15H24Cl2N2O2S/c1-11(2)19(12(3)4)8-7-18-22(20,21)10-13-5-6-14(16)15(17)9-13/h5-6,9,11-12,18H,7-8,10H2,1-4H3
InChIKeyJVECMPIHIDCTFM-UHFFFAOYSA-N
MW367.34 g/mol
LogP3.53
Rot. Bonds8

About 1-(3,4-dichlorophenyl)-N-[2-[di(propan-2-yl)amino]ethyl]methanesulfonamide

1-(3,4-dichlorophenyl)-N-[2-[di(propan-2-yl)amino]ethyl]methanesulfonamide (PubChem CID 56513128) has the molecular formula C15H24Cl2N2O2S and a molecular weight of 367.34 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N-[2-[di(propan-2-yl)amino]ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-N-[2-[di(propan-2-yl)amino]ethyl]methanesulfonamide
PubChem CID56513128
Molecular FormulaC15H24Cl2N2O2S
Molecular Weight367.34 g/mol
Exact Mass366.09
IUPAC Name1-(3,4-dichlorophenyl)-N-[2-[di(propan-2-yl)amino]ethyl]methanesulfonamide
SMILESCC(C)N(CCNS(=O)(=O)Cc1ccc(Cl)c(Cl)c1)C(C)C
InChIInChI=1S/C15H24Cl2N2O2S/c1-11(2)19(12(3)4)8-7-18-22(20,21)10-13-5-6-14(16)15(17)9-13/h5-6,9,11-12,18H,7-8,10H2,1-4H3
InChIKeyJVECMPIHIDCTFM-UHFFFAOYSA-N
XLogP3.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.34
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-1-(3,4-dichlorophenyl)methanesulfonamide;hydrochloride
CID 86780512
N-[2-(4-chlorophenyl)ethyl]-1-(3,4-dichlorophenyl)methanesulfonamide
CID 56513383
1-(3,4-dichlorophenyl)-N-[(2R)-2-phenylpropyl]methanesulfonamide
CID 99115120
1-(3,4-dichlorophenyl)-N-[(2R)-2-(ethylamino)propyl]methanesulfonamide;hydrochloride
CID 120664609
1-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]methanesulfonamide
CID 46771997
N-[1-(3-bromophenyl)ethyl]-1-(3,4-dichlorophenyl)methanesulfonamide
CID 56513401
1-(3,4-dichlorophenyl)-N-(4-methylphenyl)methanesulfonamide
CID 134052267
1-[4-[[(3,4-dichlorophenyl)methylsulfonylamino]methyl]phenyl]-3-propan-2-ylurea
CID 56581852
3-[(3,4-dichlorophenyl)methylsulfonylamino]-2-hydroxy-2-methylpropanoic acid
CID 122071355
1-(3,4-dichlorophenyl)-N-[1-(4-methoxyphenyl)-3-methylbutyl]methanesulfonamide
CID 43886465
1-(3,4-dichlorophenyl)-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]methanesulfonamide
CID 56581950
N-[1-(3,4-dichlorophenyl)propyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 43757507

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-N-[2-[di(propan-2-yl)amino]ethyl]methanesulfonamide?
The IUPAC name of 1-(3,4-dichlorophenyl)-N-[2-[di(propan-2-yl)amino]ethyl]methanesulfonamide (CID 56513128) is 1-(3,4-dichlorophenyl)-N-[2-[di(propan-2-yl)amino]ethyl]methanesulfonamide.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-N-[2-[di(propan-2-yl)amino]ethyl]methanesulfonamide?
The canonical SMILES for 1-(3,4-dichlorophenyl)-N-[2-[di(propan-2-yl)amino]ethyl]methanesulfonamide is CC(C)N(CCNS(=O)(=O)Cc1ccc(Cl)c(Cl)c1)C(C)C.
What is the InChIKey of 1-(3,4-dichlorophenyl)-N-[2-[di(propan-2-yl)amino]ethyl]methanesulfonamide?
The InChIKey is JVECMPIHIDCTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24Cl2N2O2S/c1-11(2)19(12(3)4)8-7-18-22(20,21)10-13-5-6-14(16)15(17)9-13/h5-6,9,11-12,18H,7-8,10H2,1-4H3.
What are the key properties of 1-(3,4-dichlorophenyl)-N-[2-[di(propan-2-yl)amino]ethyl]methanesulfonamide?
1-(3,4-dichlorophenyl)-N-[2-[di(propan-2-yl)amino]ethyl]methanesulfonamide has a molecular weight of 367.34 g/mol, XLogP of 3.53, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-N-[2-[di(propan-2-yl)amino]ethyl]methanesulfonamide is sourced from PubChem (CID 56513128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).