4-chloro-N-(4-hydroxybutan-2-yl)-2-methoxybenzenesulfonamide

C11H16ClNO4S — CID 115477790

IUPAC4-chloro-N-(4-hydroxybutan-2-yl)-2-methoxybenzenesulfonamide
SMILESCOc1cc(Cl)ccc1S(=O)(=O)NC(C)CCO
InChIInChI=1S/C11H16ClNO4S/c1-8(5-6-14)13-18(15,16)11-4-3-9(12)7-10(11)17-2/h3-4,7-8,13-14H,5-6H2,1-2H3
InChIKeyXLUUSTYLTMXGOQ-UHFFFAOYSA-N
MW293.77 g/mol
LogP1.40
Rot. Bonds6

About 4-chloro-N-(4-hydroxybutan-2-yl)-2-methoxybenzenesulfonamide

4-chloro-N-(4-hydroxybutan-2-yl)-2-methoxybenzenesulfonamide (PubChem CID 115477790) has the molecular formula C11H16ClNO4S and a molecular weight of 293.77 g/mol. Its IUPAC name is 4-chloro-N-(4-hydroxybutan-2-yl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(4-hydroxybutan-2-yl)-2-methoxybenzenesulfonamide
PubChem CID115477790
Molecular FormulaC11H16ClNO4S
Molecular Weight293.77 g/mol
Exact Mass293.05
IUPAC Name4-chloro-N-(4-hydroxybutan-2-yl)-2-methoxybenzenesulfonamide
SMILESCOc1cc(Cl)ccc1S(=O)(=O)NC(C)CCO
InChIInChI=1S/C11H16ClNO4S/c1-8(5-6-14)13-18(15,16)11-4-3-9(12)7-10(11)17-2/h3-4,7-8,13-14H,5-6H2,1-2H3
InChIKeyXLUUSTYLTMXGOQ-UHFFFAOYSA-N
XLogP1.40
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.77
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(2-hydroxyethyl)-2-methoxybenzenesulfonamide
CID 43501996
5-bromo-N-(4-hydroxybutan-2-yl)-2-methoxybenzenesulfonamide
CID 113318211
4-chloro-N-(3-hydroxypropyl)-2-methoxybenzenesulfonamide
CID 43501480
2-[(4-chloro-2-methoxyphenyl)sulfonylamino]-3-methylbutanoic acid
CID 43244846
2-[(4-chloro-2-methoxyphenyl)sulfonylamino]-4-methoxybutanoic acid
CID 62478089
N-[(2S)-1-aminopropan-2-yl]-5-chloro-2-methoxybenzenesulfonamide;hydrochloride
CID 120713181
4-chloro-2-methoxy-N-(1-phenylethyl)benzenesulfonamide
CID 50876121
(2S)-2-[(4-chloro-2-methoxyphenyl)sulfonylamino]butanedioic acid
CID 112733144
N-(1-aminohexan-2-yl)-4-chloro-2-methoxybenzenesulfonamide
CID 80697849
4-(ethylaminomethyl)-2-methoxy-N-pentan-2-ylbenzenesulfonamide
CID 106046618
N-[(2R)-1-hydroxypropan-2-yl]-2-methoxybenzenesulfonamide
CID 79027643
4-chloro-2-methoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 103943283

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-hydroxybutan-2-yl)-2-methoxybenzenesulfonamide?
The IUPAC name of 4-chloro-N-(4-hydroxybutan-2-yl)-2-methoxybenzenesulfonamide (CID 115477790) is 4-chloro-N-(4-hydroxybutan-2-yl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(4-hydroxybutan-2-yl)-2-methoxybenzenesulfonamide?
The canonical SMILES for 4-chloro-N-(4-hydroxybutan-2-yl)-2-methoxybenzenesulfonamide is COc1cc(Cl)ccc1S(=O)(=O)NC(C)CCO.
What is the InChIKey of 4-chloro-N-(4-hydroxybutan-2-yl)-2-methoxybenzenesulfonamide?
The InChIKey is XLUUSTYLTMXGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO4S/c1-8(5-6-14)13-18(15,16)11-4-3-9(12)7-10(11)17-2/h3-4,7-8,13-14H,5-6H2,1-2H3.
What are the key properties of 4-chloro-N-(4-hydroxybutan-2-yl)-2-methoxybenzenesulfonamide?
4-chloro-N-(4-hydroxybutan-2-yl)-2-methoxybenzenesulfonamide has a molecular weight of 293.77 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-hydroxybutan-2-yl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 115477790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).