5-chloro-N-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)thiophene-2-sulfonamide

C13H10ClN3O2S3 — CID 2123309

IUPAC5-chloro-N-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ncnc2sc3c(c12)CCC3)c1ccc(Cl)s1
InChIInChI=1S/C13H10ClN3O2S3/c14-9-4-5-10(21-9)22(18,19)17-12-11-7-2-1-3-8(7)20-13(11)16-6-15-12/h4-6H,1-3H2,(H,15,16,17)
InChIKeyPBWHFFIASCCHHV-UHFFFAOYSA-N
MW371.90 g/mol
LogP3.70
Rot. Bonds3

About 5-chloro-N-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)thiophene-2-sulfonamide

5-chloro-N-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)thiophene-2-sulfonamide (PubChem CID 2123309) has the molecular formula C13H10ClN3O2S3 and a molecular weight of 371.90 g/mol. Its IUPAC name is 5-chloro-N-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)thiophene-2-sulfonamide
PubChem CID2123309
Molecular FormulaC13H10ClN3O2S3
Molecular Weight371.90 g/mol
Exact Mass370.96
IUPAC Name5-chloro-N-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ncnc2sc3c(c12)CCC3)c1ccc(Cl)s1
InChIInChI=1S/C13H10ClN3O2S3/c14-9-4-5-10(21-9)22(18,19)17-12-11-7-2-1-3-8(7)20-13(11)16-6-15-12/h4-6H,1-3H2,(H,15,16,17)
InChIKeyPBWHFFIASCCHHV-UHFFFAOYSA-N
XLogP3.70
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.90
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-chloro-N-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)thiophene-2-sulfonamide with MolForge

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Related Compounds

N-(4-chlorophenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 713708
2-[(5-chlorothiophen-2-yl)sulfonylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid
CID 43343863
(2R)-2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-ylamino)propanoic acid
CID 919487
N-(5-chloro-2-methylphenyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
CID 35477819
4-methoxy-N'-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)benzenesulfonohydrazide
CID 1157296
N-(2,4,5-trichlorophenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 23794696
3-methyl-2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-ylamino)butanoic acid
CID 3757637
N-(3-chlorophenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 831273
(2S)-3-methyl-2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-ylamino)butanoic acid
CID 705338
N-prop-2-ynyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
CID 9251866
N-(5-chloro-2-methylphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 21009767
N-(4-chloro-2-methylphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 15994565

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)thiophene-2-sulfonamide (CID 2123309) is 5-chloro-N-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)thiophene-2-sulfonamide is O=S(=O)(Nc1ncnc2sc3c(c12)CCC3)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)thiophene-2-sulfonamide?
The InChIKey is PBWHFFIASCCHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O2S3/c14-9-4-5-10(21-9)22(18,19)17-12-11-7-2-1-3-8(7)20-13(11)16-6-15-12/h4-6H,1-3H2,(H,15,16,17).
What are the key properties of 5-chloro-N-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)thiophene-2-sulfonamide?
5-chloro-N-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)thiophene-2-sulfonamide has a molecular weight of 371.90 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 2123309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).