N-(1-benzylsulfanyl-3-hydroxypropan-2-yl)-5-chlorothiophene-2-sulfonamide

C14H16ClNO3S3 — CID 10156475

IUPACN-(1-benzylsulfanyl-3-hydroxypropan-2-yl)-5-chlorothiophene-2-sulfonamide
SMILESO=S(=O)(NC(CO)CSCc1ccccc1)c1ccc(Cl)s1
InChIInChI=1S/C14H16ClNO3S3/c15-13-6-7-14(21-13)22(18,19)16-12(8-17)10-20-9-11-4-2-1-3-5-11/h1-7,12,16-17H,8-10H2
InChIKeyOMKVQQXWPXSEAY-UHFFFAOYSA-N
MW377.94 g/mol
LogP2.97
Rot. Bonds8

About N-(1-benzylsulfanyl-3-hydroxypropan-2-yl)-5-chlorothiophene-2-sulfonamide

N-(1-benzylsulfanyl-3-hydroxypropan-2-yl)-5-chlorothiophene-2-sulfonamide (PubChem CID 10156475) has the molecular formula C14H16ClNO3S3 and a molecular weight of 377.94 g/mol. Its IUPAC name is N-(1-benzylsulfanyl-3-hydroxypropan-2-yl)-5-chlorothiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(1-benzylsulfanyl-3-hydroxypropan-2-yl)-5-chlorothiophene-2-sulfonamide
PubChem CID10156475
Molecular FormulaC14H16ClNO3S3
Molecular Weight377.94 g/mol
Exact Mass377.00
IUPAC NameN-(1-benzylsulfanyl-3-hydroxypropan-2-yl)-5-chlorothiophene-2-sulfonamide
SMILESO=S(=O)(NC(CO)CSCc1ccccc1)c1ccc(Cl)s1
InChIInChI=1S/C14H16ClNO3S3/c15-13-6-7-14(21-13)22(18,19)16-12(8-17)10-20-9-11-4-2-1-3-5-11/h1-7,12,16-17H,8-10H2
InChIKeyOMKVQQXWPXSEAY-UHFFFAOYSA-N
XLogP2.97
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.94
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-(1-hydroxyheptan-2-yl)thiophene-2-sulfonamide
CID 68540037
(2R)-2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-hydroxypropanoic acid
CID 80751001
5-chloro-N-(1-hydroxy-3-phenylmethoxybutan-2-yl)thiophene-2-sulfonamide
CID 22500794
5-chloro-N-[(2S,3R)-1-hydroxy-3-(4-phenylphenyl)butan-2-yl]thiophene-2-sulfonamide
CID 66929809
5-chloro-N-[(2S,3S)-1-hydroxy-3-phenylhexan-2-yl]thiophene-2-sulfonamide
CID 66930190
methyl 2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-hydroxypropanoate
CID 43405378
5-chloro-N-[(2S,3S)-1-hydroxy-3-phenyloctan-2-yl]thiophene-2-sulfonamide
CID 66929777
5-bromo-N-(1,3-dihydroxypropan-2-yl)thiophene-2-sulfonamide
CID 65314645
methyl 3-benzylsulfanyl-2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]propanoate
CID 3678182
2-[(5-chlorothiophen-2-yl)sulfonylamino]pentanedioic acid
CID 60640830
5-chloro-N-[4-(2-phenylethylamino)phenyl]thiophene-2-sulfonamide
CID 112983289
(2S)-2-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methylsulfanylbutanoic acid
CID 61144815

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylsulfanyl-3-hydroxypropan-2-yl)-5-chlorothiophene-2-sulfonamide?
The IUPAC name of N-(1-benzylsulfanyl-3-hydroxypropan-2-yl)-5-chlorothiophene-2-sulfonamide (CID 10156475) is N-(1-benzylsulfanyl-3-hydroxypropan-2-yl)-5-chlorothiophene-2-sulfonamide.
What is the SMILES notation for N-(1-benzylsulfanyl-3-hydroxypropan-2-yl)-5-chlorothiophene-2-sulfonamide?
The canonical SMILES for N-(1-benzylsulfanyl-3-hydroxypropan-2-yl)-5-chlorothiophene-2-sulfonamide is O=S(=O)(NC(CO)CSCc1ccccc1)c1ccc(Cl)s1.
What is the InChIKey of N-(1-benzylsulfanyl-3-hydroxypropan-2-yl)-5-chlorothiophene-2-sulfonamide?
The InChIKey is OMKVQQXWPXSEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO3S3/c15-13-6-7-14(21-13)22(18,19)16-12(8-17)10-20-9-11-4-2-1-3-5-11/h1-7,12,16-17H,8-10H2.
What are the key properties of N-(1-benzylsulfanyl-3-hydroxypropan-2-yl)-5-chlorothiophene-2-sulfonamide?
N-(1-benzylsulfanyl-3-hydroxypropan-2-yl)-5-chlorothiophene-2-sulfonamide has a molecular weight of 377.94 g/mol, XLogP of 2.97, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylsulfanyl-3-hydroxypropan-2-yl)-5-chlorothiophene-2-sulfonamide is sourced from PubChem (CID 10156475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).