4-(benzenesulfonyl)-N-[(5-chloro-1-benzothiophen-3-yl)methyl]thiophene-2-sulfonamide

C19H14ClNO4S4 — CID 2811648

IUPAC4-(benzenesulfonyl)-N-[(5-chloro-1-benzothiophen-3-yl)methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1csc2ccc(Cl)cc12)c1cc(S(=O)(=O)c2ccccc2)cs1
InChIInChI=1S/C19H14ClNO4S4/c20-14-6-7-18-17(8-14)13(11-26-18)10-21-29(24,25)19-9-16(12-27-19)28(22,23)15-4-2-1-3-5-15/h1-9,11-12,21H,10H2
InChIKeyMMMCHQRHQOEXDP-UHFFFAOYSA-N
MW484.05 g/mol
LogP4.93
Rot. Bonds6

About 4-(benzenesulfonyl)-N-[(5-chloro-1-benzothiophen-3-yl)methyl]thiophene-2-sulfonamide

4-(benzenesulfonyl)-N-[(5-chloro-1-benzothiophen-3-yl)methyl]thiophene-2-sulfonamide (PubChem CID 2811648) has the molecular formula C19H14ClNO4S4 and a molecular weight of 484.05 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-N-[(5-chloro-1-benzothiophen-3-yl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-(benzenesulfonyl)-N-[(5-chloro-1-benzothiophen-3-yl)methyl]thiophene-2-sulfonamide
PubChem CID2811648
Molecular FormulaC19H14ClNO4S4
Molecular Weight484.05 g/mol
Exact Mass482.95
IUPAC Name4-(benzenesulfonyl)-N-[(5-chloro-1-benzothiophen-3-yl)methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1csc2ccc(Cl)cc12)c1cc(S(=O)(=O)c2ccccc2)cs1
InChIInChI=1S/C19H14ClNO4S4/c20-14-6-7-18-17(8-14)13(11-26-18)10-21-29(24,25)19-9-16(12-27-19)28(22,23)15-4-2-1-3-5-15/h1-9,11-12,21H,10H2
InChIKeyMMMCHQRHQOEXDP-UHFFFAOYSA-N
XLogP4.93
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.05
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(5-chloro-1-benzothien-3-yl)methyl]sulfamide
CID 11572651
N-(1-benzothiophen-3-ylmethyl)-4-chlorobenzenesulfonamide
CID 141518718
N-(1-benzothiophen-3-ylmethyl)thiophene-2-sulfonamide
CID 3802406
N-(1-benzothiophen-2-ylmethyl)-4-chlorobenzenesulfonamide
CID 141518721
N-[(R)-1-benzothiophen-2-yl-(2-chlorophenyl)methyl]benzenesulfonamide
CID 127039285
N-[(R)-1-benzothiophen-2-yl-(2-chlorophenyl)methyl]cyclopropanesulfonamide
CID 127039286
4-chloro-N-[2-[(5-chloro-1-benzothiophen-3-yl)methylsulfanyl]ethyl]benzenesulfonamide
CID 2821835
4-chloro-N-[(5-chloro-1-benzothiophen-3-yl)methyl]benzenesulfonamide
CID 2811647
5-chloro-N-(2-(thiophen-3-yl)benzyl)thiophene-2-sulfonamide
CID 71809983
5-chloro-3-methyl-N-[(4-sulfamoylphenyl)methyl]-1-benzothiophene-2-sulfonamide
CID 2738733
N-[(5-chloro-1-benzothiophen-3-yl)methyl]-4-(trifluoromethyl)benzenesulfonamide
CID 2811653
5-chloro-N-[(4-fluorophenyl)methyl]-3-methyl-1-benzothiophene-2-sulfonamide
CID 23654701

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-N-[(5-chloro-1-benzothiophen-3-yl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 4-(benzenesulfonyl)-N-[(5-chloro-1-benzothiophen-3-yl)methyl]thiophene-2-sulfonamide (CID 2811648) is 4-(benzenesulfonyl)-N-[(5-chloro-1-benzothiophen-3-yl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 4-(benzenesulfonyl)-N-[(5-chloro-1-benzothiophen-3-yl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 4-(benzenesulfonyl)-N-[(5-chloro-1-benzothiophen-3-yl)methyl]thiophene-2-sulfonamide is O=S(=O)(NCc1csc2ccc(Cl)cc12)c1cc(S(=O)(=O)c2ccccc2)cs1.
What is the InChIKey of 4-(benzenesulfonyl)-N-[(5-chloro-1-benzothiophen-3-yl)methyl]thiophene-2-sulfonamide?
The InChIKey is MMMCHQRHQOEXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClNO4S4/c20-14-6-7-18-17(8-14)13(11-26-18)10-21-29(24,25)19-9-16(12-27-19)28(22,23)15-4-2-1-3-5-15/h1-9,11-12,21H,10H2.
What are the key properties of 4-(benzenesulfonyl)-N-[(5-chloro-1-benzothiophen-3-yl)methyl]thiophene-2-sulfonamide?
4-(benzenesulfonyl)-N-[(5-chloro-1-benzothiophen-3-yl)methyl]thiophene-2-sulfonamide has a molecular weight of 484.05 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-N-[(5-chloro-1-benzothiophen-3-yl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 2811648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).