(4S)-2-chloro-4-(sulfamoylamino)-4,5,6,7-tetrahydro-1-benzothiophene

C8H11ClN2O2S2 — CID 164631736

IUPAC(4S)-2-chloro-4-(sulfamoylamino)-4,5,6,7-tetrahydro-1-benzothiophene
SMILESNS(=O)(=O)N[C@H]1CCCc2sc(Cl)cc21
InChIInChI=1S/C8H11ClN2O2S2/c9-8-4-5-6(11-15(10,12)13)2-1-3-7(5)14-8/h4,6,11H,1-3H2,(H2,10,12,13)/t6-/m0/s1
InChIKeyHXKZYQJRXDBNNM-LURJTMIESA-N
MW266.77 g/mol
LogP1.57
Rot. Bonds2

About (4S)-2-chloro-4-(sulfamoylamino)-4,5,6,7-tetrahydro-1-benzothiophene

(4S)-2-chloro-4-(sulfamoylamino)-4,5,6,7-tetrahydro-1-benzothiophene (PubChem CID 164631736) has the molecular formula C8H11ClN2O2S2 and a molecular weight of 266.77 g/mol. Its IUPAC name is (4S)-2-chloro-4-(sulfamoylamino)-4,5,6,7-tetrahydro-1-benzothiophene.

Molecular Properties

Compound Name(4S)-2-chloro-4-(sulfamoylamino)-4,5,6,7-tetrahydro-1-benzothiophene
PubChem CID164631736
Molecular FormulaC8H11ClN2O2S2
Molecular Weight266.77 g/mol
Exact Mass266.00
IUPAC Name(4S)-2-chloro-4-(sulfamoylamino)-4,5,6,7-tetrahydro-1-benzothiophene
SMILESNS(=O)(=O)N[C@H]1CCCc2sc(Cl)cc21
InChIInChI=1S/C8H11ClN2O2S2/c9-8-4-5-6(11-15(10,12)13)2-1-3-7(5)14-8/h4,6,11H,1-3H2,(H2,10,12,13)/t6-/m0/s1
InChIKeyHXKZYQJRXDBNNM-LURJTMIESA-N
XLogP1.57
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 20348975
N-(2-amino-2-phenylethyl)-5-chlorothiophene-2-sulfonamide hydrochloride
CID 71757195
2-Chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-amine hydrochloride
CID 155978439
N'-[(3-chloro-1-benzothien-2-yl)methyl]-N-isopropyl-N-methylsulfamide
CID 129621439
N-(2-amino-2-phenylethyl)-5-chlorothiophene-2-sulfonamide
CID 43605632
2-chloro-N-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82687009
2-chloro-N-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82690122
2-chloro-N-(4,4,4-trifluorobutyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82695604
2-chloro-N-(2,2-difluoroethyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82696632
2-chloro-N-(2,2,2-trifluoroethoxy)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82711317
2-(aminomethyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]-5-fluorobenzenesulfonamide
CID 106003833
5-chloro-N-(1-phenylethyl)thiophene-2-sulfonamide
CID 2943482

Frequently Asked Questions

What is the IUPAC name of (4S)-2-chloro-4-(sulfamoylamino)-4,5,6,7-tetrahydro-1-benzothiophene?
The IUPAC name of (4S)-2-chloro-4-(sulfamoylamino)-4,5,6,7-tetrahydro-1-benzothiophene (CID 164631736) is (4S)-2-chloro-4-(sulfamoylamino)-4,5,6,7-tetrahydro-1-benzothiophene.
What is the SMILES notation for (4S)-2-chloro-4-(sulfamoylamino)-4,5,6,7-tetrahydro-1-benzothiophene?
The canonical SMILES for (4S)-2-chloro-4-(sulfamoylamino)-4,5,6,7-tetrahydro-1-benzothiophene is NS(=O)(=O)N[C@H]1CCCc2sc(Cl)cc21.
What is the InChIKey of (4S)-2-chloro-4-(sulfamoylamino)-4,5,6,7-tetrahydro-1-benzothiophene?
The InChIKey is HXKZYQJRXDBNNM-LURJTMIESA-N. The full InChI is InChI=1S/C8H11ClN2O2S2/c9-8-4-5-6(11-15(10,12)13)2-1-3-7(5)14-8/h4,6,11H,1-3H2,(H2,10,12,13)/t6-/m0/s1.
What are the key properties of (4S)-2-chloro-4-(sulfamoylamino)-4,5,6,7-tetrahydro-1-benzothiophene?
(4S)-2-chloro-4-(sulfamoylamino)-4,5,6,7-tetrahydro-1-benzothiophene has a molecular weight of 266.77 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-chloro-4-(sulfamoylamino)-4,5,6,7-tetrahydro-1-benzothiophene is sourced from PubChem (CID 164631736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).