5-chloro-N-[1-hydroxy-3-(4-methoxyphenyl)butan-2-yl]thiophene-2-sulfonamide

C15H18ClNO4S2 — CID 22500888

IUPAC5-chloro-N-[1-hydroxy-3-(4-methoxyphenyl)butan-2-yl]thiophene-2-sulfonamide
SMILESCOc1ccc(C(C)C(CO)NS(=O)(=O)c2ccc(Cl)s2)cc1
InChIInChI=1S/C15H18ClNO4S2/c1-10(11-3-5-12(21-2)6-4-11)13(9-18)17-23(19,20)15-8-7-14(16)22-15/h3-8,10,13,17-18H,9H2,1-2H3
InChIKeyVVEYDHBFXUWSRA-UHFFFAOYSA-N
MW375.90 g/mol
LogP2.85
Rot. Bonds7

About 5-chloro-N-[1-hydroxy-3-(4-methoxyphenyl)butan-2-yl]thiophene-2-sulfonamide

5-chloro-N-[1-hydroxy-3-(4-methoxyphenyl)butan-2-yl]thiophene-2-sulfonamide (PubChem CID 22500888) has the molecular formula C15H18ClNO4S2 and a molecular weight of 375.90 g/mol. Its IUPAC name is 5-chloro-N-[1-hydroxy-3-(4-methoxyphenyl)butan-2-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[1-hydroxy-3-(4-methoxyphenyl)butan-2-yl]thiophene-2-sulfonamide
PubChem CID22500888
Molecular FormulaC15H18ClNO4S2
Molecular Weight375.90 g/mol
Exact Mass375.04
IUPAC Name5-chloro-N-[1-hydroxy-3-(4-methoxyphenyl)butan-2-yl]thiophene-2-sulfonamide
SMILESCOc1ccc(C(C)C(CO)NS(=O)(=O)c2ccc(Cl)s2)cc1
InChIInChI=1S/C15H18ClNO4S2/c1-10(11-3-5-12(21-2)6-4-11)13(9-18)17-23(19,20)15-8-7-14(16)22-15/h3-8,10,13,17-18H,9H2,1-2H3
InChIKeyVVEYDHBFXUWSRA-UHFFFAOYSA-N
XLogP2.85
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.90
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-[(2S,3R)-1-hydroxy-3-(4-phenylphenyl)butan-2-yl]thiophene-2-sulfonamide
CID 66929809
5-chloro-N-(5,5,5-trifluoro-1-hydroxy-3-methylpentan-2-yl)thiophene-2-sulfonamide
CID 72786260
5-chloro-N-(1-hydroxy-3-phenylmethoxybutan-2-yl)thiophene-2-sulfonamide
CID 22500794
methyl 2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-hydroxypropanoate
CID 43405378
5-chloro-N-(1-hydroxy-3-methylnonan-2-yl)thiophene-2-sulfonamide
CID 22500801
(2R)-N-(5-chlorothiophen-2-yl)sulfonyl-2-(4-methoxyphenoxy)propanamide
CID 94187653
5-chloro-N-[(2S,3S)-1-hydroxy-3-phenylhexan-2-yl]thiophene-2-sulfonamide
CID 66930190
(2R)-2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-hydroxypropanoic acid
CID 80751001
5-chloro-N-[(2S,3S)-3-ethyl-1-hydroxynonan-2-yl]thiophene-2-sulfonamide
CID 44571758
5-chloro-N-(1-hydroxy-3-propylnonan-2-yl)thiophene-2-sulfonamide
CID 22500763
5-chloro-N-[(2R,3R)-1-hydroxy-3-propylnonan-2-yl]thiophene-2-sulfonamide
CID 10110420
N-[1-(4-bromophenyl)ethyl]-5-chlorothiophene-2-sulfonamide
CID 3835268

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-hydroxy-3-(4-methoxyphenyl)butan-2-yl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[1-hydroxy-3-(4-methoxyphenyl)butan-2-yl]thiophene-2-sulfonamide (CID 22500888) is 5-chloro-N-[1-hydroxy-3-(4-methoxyphenyl)butan-2-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[1-hydroxy-3-(4-methoxyphenyl)butan-2-yl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[1-hydroxy-3-(4-methoxyphenyl)butan-2-yl]thiophene-2-sulfonamide is COc1ccc(C(C)C(CO)NS(=O)(=O)c2ccc(Cl)s2)cc1.
What is the InChIKey of 5-chloro-N-[1-hydroxy-3-(4-methoxyphenyl)butan-2-yl]thiophene-2-sulfonamide?
The InChIKey is VVEYDHBFXUWSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO4S2/c1-10(11-3-5-12(21-2)6-4-11)13(9-18)17-23(19,20)15-8-7-14(16)22-15/h3-8,10,13,17-18H,9H2,1-2H3.
What are the key properties of 5-chloro-N-[1-hydroxy-3-(4-methoxyphenyl)butan-2-yl]thiophene-2-sulfonamide?
5-chloro-N-[1-hydroxy-3-(4-methoxyphenyl)butan-2-yl]thiophene-2-sulfonamide has a molecular weight of 375.90 g/mol, XLogP of 2.85, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-hydroxy-3-(4-methoxyphenyl)butan-2-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 22500888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).