N-[(2R)-butan-2-yl]-4-chloro-N-(3-phenylpropyl)benzenesulfonamide

C19H24ClNO2S — CID 67367150

IUPACN-[(2R)-butan-2-yl]-4-chloro-N-(3-phenylpropyl)benzenesulfonamide
SMILESCC[C@@H](C)N(CCCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H24ClNO2S/c1-3-16(2)21(15-7-10-17-8-5-4-6-9-17)24(22,23)19-13-11-18(20)12-14-19/h4-6,8-9,11-14,16H,3,7,10,15H2,1-2H3/t16-/m1/s1
InChIKeyQMBTUOBMMBKUKK-MRXNPFEDSA-N
MW365.93 g/mol
LogP4.76
Rot. Bonds8

About N-[(2R)-butan-2-yl]-4-chloro-N-(3-phenylpropyl)benzenesulfonamide

N-[(2R)-butan-2-yl]-4-chloro-N-(3-phenylpropyl)benzenesulfonamide (PubChem CID 67367150) has the molecular formula C19H24ClNO2S and a molecular weight of 365.93 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-4-chloro-N-(3-phenylpropyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-4-chloro-N-(3-phenylpropyl)benzenesulfonamide
PubChem CID67367150
Molecular FormulaC19H24ClNO2S
Molecular Weight365.93 g/mol
Exact Mass365.12
IUPAC NameN-[(2R)-butan-2-yl]-4-chloro-N-(3-phenylpropyl)benzenesulfonamide
SMILESCC[C@@H](C)N(CCCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H24ClNO2S/c1-3-16(2)21(15-7-10-17-8-5-4-6-9-17)24(22,23)19-13-11-18(20)12-14-19/h4-6,8-9,11-14,16H,3,7,10,15H2,1-2H3/t16-/m1/s1
InChIKeyQMBTUOBMMBKUKK-MRXNPFEDSA-N
XLogP4.76
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.93
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-butan-2-yl]-4-chloro-N-[(3R)-3-phenylbutyl]benzenesulfonamide
CID 124567549
N-(2-aminoethyl)-N-butan-2-ylbenzenesulfonamide
CID 112516561
4-chloro-N-[(2R)-2-(hydroxymethyl)-3-methylbutyl]-N-(4-phenylbutan-2-yl)benzenesulfonamide
CID 67367072
4-chloro-N-(3-hydroxypropyl)-N-propan-2-ylbenzenesulfonamide
CID 54916437
4-[(4-chlorophenyl)sulfonyl-propan-2-ylamino]butanoic acid
CID 60829614
4-(bromomethyl)-N-butan-2-yl-N-butylbenzenesulfonamide
CID 65480214
4-chloro-N-[(4-cyanophenyl)methyl]-N-(4-phenylbutan-2-yl)benzenesulfonamide
CID 58129247
N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-4-methyl-N-(3-phenylpropyl)benzenesulfonamide
CID 102151911
4-(2-chloroethyl)-N-pentyl-N-propan-2-ylbenzenesulfonamide
CID 63409305
4-chloro-N-pentan-3-yl-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide
CID 11632263
(2R)-2-[(4-chlorophenyl)sulfonyl-methylamino]-3-phenylpropanoic acid
CID 125045124
N-benzyl-2-[(4-chlorophenyl)sulfonyl-propan-2-ylamino]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 5055165

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-4-chloro-N-(3-phenylpropyl)benzenesulfonamide?
The IUPAC name of N-[(2R)-butan-2-yl]-4-chloro-N-(3-phenylpropyl)benzenesulfonamide (CID 67367150) is N-[(2R)-butan-2-yl]-4-chloro-N-(3-phenylpropyl)benzenesulfonamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-4-chloro-N-(3-phenylpropyl)benzenesulfonamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-4-chloro-N-(3-phenylpropyl)benzenesulfonamide is CC[C@@H](C)N(CCCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-[(2R)-butan-2-yl]-4-chloro-N-(3-phenylpropyl)benzenesulfonamide?
The InChIKey is QMBTUOBMMBKUKK-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H24ClNO2S/c1-3-16(2)21(15-7-10-17-8-5-4-6-9-17)24(22,23)19-13-11-18(20)12-14-19/h4-6,8-9,11-14,16H,3,7,10,15H2,1-2H3/t16-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-4-chloro-N-(3-phenylpropyl)benzenesulfonamide?
N-[(2R)-butan-2-yl]-4-chloro-N-(3-phenylpropyl)benzenesulfonamide has a molecular weight of 365.93 g/mol, XLogP of 4.76, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-4-chloro-N-(3-phenylpropyl)benzenesulfonamide is sourced from PubChem (CID 67367150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).