N-[(2R)-butan-2-yl]-3-[(4-ethylphenyl)sulfonylamino]benzenesulfonamide

C18H24N2O4S2 — CID 124587750

IUPACN-[(2R)-butan-2-yl]-3-[(4-ethylphenyl)sulfonylamino]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2cccc(S(=O)(=O)N[C@H](C)CC)c2)cc1
InChIInChI=1S/C18H24N2O4S2/c1-4-14(3)19-26(23,24)18-8-6-7-16(13-18)20-25(21,22)17-11-9-15(5-2)10-12-17/h6-14,19-20H,4-5H2,1-3H3/t14-/m1/s1
InChIKeyQGJVIFQYPALOOO-CQSZACIVSA-N
MW396.53 g/mol
LogP3.13
Rot. Bonds8

About N-[(2R)-butan-2-yl]-3-[(4-ethylphenyl)sulfonylamino]benzenesulfonamide

N-[(2R)-butan-2-yl]-3-[(4-ethylphenyl)sulfonylamino]benzenesulfonamide (PubChem CID 124587750) has the molecular formula C18H24N2O4S2 and a molecular weight of 396.53 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-3-[(4-ethylphenyl)sulfonylamino]benzenesulfonamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-3-[(4-ethylphenyl)sulfonylamino]benzenesulfonamide
PubChem CID124587750
Molecular FormulaC18H24N2O4S2
Molecular Weight396.53 g/mol
Exact Mass396.12
IUPAC NameN-[(2R)-butan-2-yl]-3-[(4-ethylphenyl)sulfonylamino]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2cccc(S(=O)(=O)N[C@H](C)CC)c2)cc1
InChIInChI=1S/C18H24N2O4S2/c1-4-14(3)19-26(23,24)18-8-6-7-16(13-18)20-25(21,22)17-11-9-15(5-2)10-12-17/h6-14,19-20H,4-5H2,1-3H3/t14-/m1/s1
InChIKeyQGJVIFQYPALOOO-CQSZACIVSA-N
XLogP3.13
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-N-(3-methylsulfanylphenyl)benzenesulfonamide
CID 7594474
N-(4-ethylphenyl)-3-[3-[(4-ethylphenyl)sulfamoyl]phenyl]sulfonylbenzenesulfonamide
CID 160503977
4-ethyl-N-pentan-2-ylbenzenesulfonamide
CID 19681870
3-bromo-N-[(2S)-butan-2-yl]benzenesulfonamide
CID 7510199
(2S)-2-amino-N-[3-(butan-2-ylsulfamoyl)phenyl]propanamide;hydrochloride
CID 119341505
3-N-(4-ethylphenyl)benzene-1,3-disulfonamide
CID 31065784
4-butyl-N-(3-ethylphenyl)benzenesulfonamide
CID 22773820
3-[(4-ethylphenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 24629312
1-amino-N-[3-(butan-2-ylsulfamoyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119341523
4-ethyl-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 51183649
4-ethyl-N-[(2S)-4-phenylbutan-2-yl]benzenesulfonamide
CID 7765610
4-ethyl-N-(4-phenylbutan-2-yl)benzenesulfonamide
CID 3870865

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-3-[(4-ethylphenyl)sulfonylamino]benzenesulfonamide?
The IUPAC name of N-[(2R)-butan-2-yl]-3-[(4-ethylphenyl)sulfonylamino]benzenesulfonamide (CID 124587750) is N-[(2R)-butan-2-yl]-3-[(4-ethylphenyl)sulfonylamino]benzenesulfonamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-3-[(4-ethylphenyl)sulfonylamino]benzenesulfonamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-3-[(4-ethylphenyl)sulfonylamino]benzenesulfonamide is CCc1ccc(S(=O)(=O)Nc2cccc(S(=O)(=O)N[C@H](C)CC)c2)cc1.
What is the InChIKey of N-[(2R)-butan-2-yl]-3-[(4-ethylphenyl)sulfonylamino]benzenesulfonamide?
The InChIKey is QGJVIFQYPALOOO-CQSZACIVSA-N. The full InChI is InChI=1S/C18H24N2O4S2/c1-4-14(3)19-26(23,24)18-8-6-7-16(13-18)20-25(21,22)17-11-9-15(5-2)10-12-17/h6-14,19-20H,4-5H2,1-3H3/t14-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-3-[(4-ethylphenyl)sulfonylamino]benzenesulfonamide?
N-[(2R)-butan-2-yl]-3-[(4-ethylphenyl)sulfonylamino]benzenesulfonamide has a molecular weight of 396.53 g/mol, XLogP of 3.13, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-3-[(4-ethylphenyl)sulfonylamino]benzenesulfonamide is sourced from PubChem (CID 124587750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).