4-[[(R)-amino(pyridin-2-yl)methyl]amino]-3-chloro-N-(1,3-thiazol-2-yl)benzenesulfonamide

C15H14ClN5O2S2 — CID 134602241

IUPAC4-[[(R)-amino(pyridin-2-yl)methyl]amino]-3-chloro-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESN[C@H](Nc1ccc(S(=O)(=O)Nc2nccs2)cc1Cl)c1ccccn1
InChIInChI=1S/C15H14ClN5O2S2/c16-11-9-10(25(22,23)21-15-19-7-8-24-15)4-5-12(11)20-14(17)13-3-1-2-6-18-13/h1-9,14,20H,17H2,(H,19,21)/t14-/m1/s1
InChIKeyDNUFBQBEKMOYRE-CQSZACIVSA-N
MW395.90 g/mol
LogP3.06
Rot. Bonds6

About 4-[[(R)-amino(pyridin-2-yl)methyl]amino]-3-chloro-N-(1,3-thiazol-2-yl)benzenesulfonamide

4-[[(R)-amino(pyridin-2-yl)methyl]amino]-3-chloro-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 134602241) has the molecular formula C15H14ClN5O2S2 and a molecular weight of 395.90 g/mol. Its IUPAC name is 4-[[(R)-amino(pyridin-2-yl)methyl]amino]-3-chloro-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-[[(R)-amino(pyridin-2-yl)methyl]amino]-3-chloro-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID134602241
Molecular FormulaC15H14ClN5O2S2
Molecular Weight395.90 g/mol
Exact Mass395.03
IUPAC Name4-[[(R)-amino(pyridin-2-yl)methyl]amino]-3-chloro-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESN[C@H](Nc1ccc(S(=O)(=O)Nc2nccs2)cc1Cl)c1ccccn1
InChIInChI=1S/C15H14ClN5O2S2/c16-11-9-10(25(22,23)21-15-19-7-8-24-15)4-5-12(11)20-14(17)13-3-1-2-6-18-13/h1-9,14,20H,17H2,(H,19,21)/t14-/m1/s1
InChIKeyDNUFBQBEKMOYRE-CQSZACIVSA-N
XLogP3.06
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.90
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-[[(R)-amino(phenyl)methyl]amino]-3-chloro-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 134602272
4-[[(R)-amino(phenyl)methyl]amino]-5-chloro-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 134602271
2-chloro-5-(1,3-thiazol-2-ylsulfamoyl)benzoic acid
CID 28536256
3-chloro-4-[(propan-2-ylamino)methyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 106031898
4-chloro-3-[(propan-2-ylamino)methyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 106031796
3,5-dichloro-4-[1-(2-fluorophenyl)ethylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 134585802
3-amino-5-chloro-4-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 29041502
3-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 25044262
3-amino-4-ethyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 43256868
2,4,5-trichloro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzenesulfonamide
CID 3577500
4-chloro-3-[(cyclopropylamino)methyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 106031911
4-benzylsulfonyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 87471470

Frequently Asked Questions

What is the IUPAC name of 4-[[(R)-amino(pyridin-2-yl)methyl]amino]-3-chloro-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-[[(R)-amino(pyridin-2-yl)methyl]amino]-3-chloro-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 134602241) is 4-[[(R)-amino(pyridin-2-yl)methyl]amino]-3-chloro-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-[[(R)-amino(pyridin-2-yl)methyl]amino]-3-chloro-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-[[(R)-amino(pyridin-2-yl)methyl]amino]-3-chloro-N-(1,3-thiazol-2-yl)benzenesulfonamide is N[C@H](Nc1ccc(S(=O)(=O)Nc2nccs2)cc1Cl)c1ccccn1.
What is the InChIKey of 4-[[(R)-amino(pyridin-2-yl)methyl]amino]-3-chloro-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is DNUFBQBEKMOYRE-CQSZACIVSA-N. The full InChI is InChI=1S/C15H14ClN5O2S2/c16-11-9-10(25(22,23)21-15-19-7-8-24-15)4-5-12(11)20-14(17)13-3-1-2-6-18-13/h1-9,14,20H,17H2,(H,19,21)/t14-/m1/s1.
What are the key properties of 4-[[(R)-amino(pyridin-2-yl)methyl]amino]-3-chloro-N-(1,3-thiazol-2-yl)benzenesulfonamide?
4-[[(R)-amino(pyridin-2-yl)methyl]amino]-3-chloro-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 395.90 g/mol, XLogP of 3.06, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(R)-amino(pyridin-2-yl)methyl]amino]-3-chloro-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 134602241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).