N-[(3S)-3-(1-benzofuran-2-yl)-3-hydroxypropyl]-5-chlorothiophene-2-sulfonamide

C15H14ClNO4S2 — CID 97414328

IUPACN-[(3S)-3-(1-benzofuran-2-yl)-3-hydroxypropyl]-5-chlorothiophene-2-sulfonamide
SMILESO=S(=O)(NCC[C@H](O)c1cc2ccccc2o1)c1ccc(Cl)s1
InChIInChI=1S/C15H14ClNO4S2/c16-14-5-6-15(22-14)23(19,20)17-8-7-11(18)13-9-10-3-1-2-4-12(10)21-13/h1-6,9,11,17-18H,7-8H2/t11-/m0/s1
InChIKeyLPJFBCYRZNDHAY-NSHDSACASA-N
MW371.87 g/mol
LogP3.55
Rot. Bonds6

About N-[(3S)-3-(1-benzofuran-2-yl)-3-hydroxypropyl]-5-chlorothiophene-2-sulfonamide

N-[(3S)-3-(1-benzofuran-2-yl)-3-hydroxypropyl]-5-chlorothiophene-2-sulfonamide (PubChem CID 97414328) has the molecular formula C15H14ClNO4S2 and a molecular weight of 371.87 g/mol. Its IUPAC name is N-[(3S)-3-(1-benzofuran-2-yl)-3-hydroxypropyl]-5-chlorothiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(3S)-3-(1-benzofuran-2-yl)-3-hydroxypropyl]-5-chlorothiophene-2-sulfonamide
PubChem CID97414328
Molecular FormulaC15H14ClNO4S2
Molecular Weight371.87 g/mol
Exact Mass371.01
IUPAC NameN-[(3S)-3-(1-benzofuran-2-yl)-3-hydroxypropyl]-5-chlorothiophene-2-sulfonamide
SMILESO=S(=O)(NCC[C@H](O)c1cc2ccccc2o1)c1ccc(Cl)s1
InChIInChI=1S/C15H14ClNO4S2/c16-14-5-6-15(22-14)23(19,20)17-8-7-11(18)13-9-10-3-1-2-4-12(10)21-13/h1-6,9,11,17-18H,7-8H2/t11-/m0/s1
InChIKeyLPJFBCYRZNDHAY-NSHDSACASA-N
XLogP3.55
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-[3-(furan-2-yl)-3-hydroxypropyl]thiophene-2-sulfonamide
CID 90523835
N-[3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]-5-chlorothiophene-2-sulfonamide
CID 71804352
(1R)-1-(1-benzofuran-2-yl)butane-1,4-diol
CID 124681415
N-[(3S)-3-(1-benzofuran-2-yl)-3-hydroxypropyl]-5-bromofuran-2-carboxamide
CID 97414288
5-chloro-N-(2-naphthalen-1-yloxyethyl)thiophene-2-sulfonamide
CID 60542376
5-chloro-N-[(2-hydroxyphenyl)methyl]thiophene-2-sulfonamide
CID 113317167
5-chloro-N-[2-(phenylsulfamoyl)ethyl]thiophene-2-sulfonamide
CID 110601348
1-[3-(1-benzofuran-2-yl)-3-hydroxypropyl]-3-thiophen-2-ylurea
CID 71804285
1-(1-benzofuran-2-yl)-4,4,4-trifluorobutan-1-ol
CID 64566757
3-[(5-chlorothiophen-2-yl)sulfonylamino]-2-hydroxypropanamide
CID 107258327
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-5-methylthiophene-2-sulfonamide
CID 121133162
5-chloro-N-(3-pyrrol-1-ylpropyl)thiophene-2-sulfonamide
CID 110721121

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-3-(1-benzofuran-2-yl)-3-hydroxypropyl]-5-chlorothiophene-2-sulfonamide?
The IUPAC name of N-[(3S)-3-(1-benzofuran-2-yl)-3-hydroxypropyl]-5-chlorothiophene-2-sulfonamide (CID 97414328) is N-[(3S)-3-(1-benzofuran-2-yl)-3-hydroxypropyl]-5-chlorothiophene-2-sulfonamide.
What is the SMILES notation for N-[(3S)-3-(1-benzofuran-2-yl)-3-hydroxypropyl]-5-chlorothiophene-2-sulfonamide?
The canonical SMILES for N-[(3S)-3-(1-benzofuran-2-yl)-3-hydroxypropyl]-5-chlorothiophene-2-sulfonamide is O=S(=O)(NCC[C@H](O)c1cc2ccccc2o1)c1ccc(Cl)s1.
What is the InChIKey of N-[(3S)-3-(1-benzofuran-2-yl)-3-hydroxypropyl]-5-chlorothiophene-2-sulfonamide?
The InChIKey is LPJFBCYRZNDHAY-NSHDSACASA-N. The full InChI is InChI=1S/C15H14ClNO4S2/c16-14-5-6-15(22-14)23(19,20)17-8-7-11(18)13-9-10-3-1-2-4-12(10)21-13/h1-6,9,11,17-18H,7-8H2/t11-/m0/s1.
What are the key properties of N-[(3S)-3-(1-benzofuran-2-yl)-3-hydroxypropyl]-5-chlorothiophene-2-sulfonamide?
N-[(3S)-3-(1-benzofuran-2-yl)-3-hydroxypropyl]-5-chlorothiophene-2-sulfonamide has a molecular weight of 371.87 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-3-(1-benzofuran-2-yl)-3-hydroxypropyl]-5-chlorothiophene-2-sulfonamide is sourced from PubChem (CID 97414328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).