4-[[4-(tert-butylsulfonylamino)cyclohexyl]methylamino]-N-propan-2-ylbenzenesulfonamide

C20H35N3O4S2 — CID 70939054

IUPAC4-[[4-(tert-butylsulfonylamino)cyclohexyl]methylamino]-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(NCC2CCC(NS(=O)(=O)C(C)(C)C)CC2)cc1
InChIInChI=1S/C20H35N3O4S2/c1-15(2)22-28(24,25)19-12-10-17(11-13-19)21-14-16-6-8-18(9-7-16)23-29(26,27)20(3,4)5/h10-13,15-16,18,21-23H,6-9,14H2,1-5H3
InChIKeyJCKARMPHFRBLQP-UHFFFAOYSA-N
MW445.65 g/mol
LogP3.06
Rot. Bonds8

About 4-[[4-(tert-butylsulfonylamino)cyclohexyl]methylamino]-N-propan-2-ylbenzenesulfonamide

4-[[4-(tert-butylsulfonylamino)cyclohexyl]methylamino]-N-propan-2-ylbenzenesulfonamide (PubChem CID 70939054) has the molecular formula C20H35N3O4S2 and a molecular weight of 445.65 g/mol. Its IUPAC name is 4-[[4-(tert-butylsulfonylamino)cyclohexyl]methylamino]-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-[[4-(tert-butylsulfonylamino)cyclohexyl]methylamino]-N-propan-2-ylbenzenesulfonamide
PubChem CID70939054
Molecular FormulaC20H35N3O4S2
Molecular Weight445.65 g/mol
Exact Mass445.21
IUPAC Name4-[[4-(tert-butylsulfonylamino)cyclohexyl]methylamino]-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(NCC2CCC(NS(=O)(=O)C(C)(C)C)CC2)cc1
InChIInChI=1S/C20H35N3O4S2/c1-15(2)22-28(24,25)19-12-10-17(11-13-19)21-14-16-6-8-18(9-7-16)23-29(26,27)20(3,4)5/h10-13,15-16,18,21-23H,6-9,14H2,1-5H3
InChIKeyJCKARMPHFRBLQP-UHFFFAOYSA-N
XLogP3.06
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.65
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[4-(tert-butylsulfonylamino)cyclohexyl]methylamino]-N-cyclohexylbenzenesulfonamide
CID 70939108
2-methyl-N-[4-[(4-propan-2-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide
CID 70938806
N-[4-[(4-chloroanilino)methyl]cyclohexyl]-2-methylpropane-2-sulfonamide
CID 70939433
N-[4-[[4-[(5R)-3,5-dimethylpiperidin-1-yl]anilino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide
CID 70910997
2-methyl-N-[4-[[4-(tetrazol-2-yl)anilino]methyl]cyclohexyl]propane-2-sulfonamide
CID 70938893
N-[4-[[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]anilino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide
CID 118376519
N-[4-[[2-(4-fluoroanilino)ethylamino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide
CID 70939338
N-[4-[(4-pyrrolidin-1-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide
CID 70939329
2-methyl-N-[4-[[(2-methyl-1,3-dioxoisoindol-5-yl)amino]methyl]cyclohexyl]propane-2-sulfonamide
CID 70939068
2-methyl-N-[4-[(4-pyrrolidin-1-ylanilino)methyl]cyclohexyl]butane-2-sulfonamide
CID 70939620
2-methyl-N-[4-[[(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)amino]methyl]cyclohexyl]propane-2-sulfonamide
CID 59230888
4-(cyclopropylmethylamino)-N-ethylbenzenesulfonamide
CID 43453957

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(tert-butylsulfonylamino)cyclohexyl]methylamino]-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-[[4-(tert-butylsulfonylamino)cyclohexyl]methylamino]-N-propan-2-ylbenzenesulfonamide (CID 70939054) is 4-[[4-(tert-butylsulfonylamino)cyclohexyl]methylamino]-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-[[4-(tert-butylsulfonylamino)cyclohexyl]methylamino]-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-[[4-(tert-butylsulfonylamino)cyclohexyl]methylamino]-N-propan-2-ylbenzenesulfonamide is CC(C)NS(=O)(=O)c1ccc(NCC2CCC(NS(=O)(=O)C(C)(C)C)CC2)cc1.
What is the InChIKey of 4-[[4-(tert-butylsulfonylamino)cyclohexyl]methylamino]-N-propan-2-ylbenzenesulfonamide?
The InChIKey is JCKARMPHFRBLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N3O4S2/c1-15(2)22-28(24,25)19-12-10-17(11-13-19)21-14-16-6-8-18(9-7-16)23-29(26,27)20(3,4)5/h10-13,15-16,18,21-23H,6-9,14H2,1-5H3.
What are the key properties of 4-[[4-(tert-butylsulfonylamino)cyclohexyl]methylamino]-N-propan-2-ylbenzenesulfonamide?
4-[[4-(tert-butylsulfonylamino)cyclohexyl]methylamino]-N-propan-2-ylbenzenesulfonamide has a molecular weight of 445.65 g/mol, XLogP of 3.06, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(tert-butylsulfonylamino)cyclohexyl]methylamino]-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 70939054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).